| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.7 | Very low | 35.3 | Very low | 251 Ų | 251 | 150.2 Ų | 150.2 | 100% | 1.236 | 85% | 0.849 | S | S | * | * | 0 | 135 | 0 | -89.8 | 168.4 | 152.1 | 0 | 0 | 108.1 | |||||
| 2 | Q | 30.6 | Very low | 35.3 | Very low | 197 Ų | 197 | 148.8 Ų | 148.8 | 92% | 0.921 | 85% | 0.846 | S | S | * | * | trans | -63.3 | 163.8 | -167.9 | -93.5 | 179.3 | -28.7 | 0 | 0 | 115.6 | ||||
| 3 | P | 53.7 | Low | 35.3 | Very low | 113 Ų | 113 | 148.5 Ų | 148.5 | 73% | 0.734 | 84% | 0.839 | S | S | * | * | trans | -104.9 | 177 | -157.9 | 40.9 | -32.8 | 0 | 0 | 0 | 113.4 | ||||
| 4 | R | 33.7 | Very low | 35 | Very low | 241 Ų | 241 | 149.5 Ų | 149.5 | 91% | 0.909 | 84% | 0.836 | S | S | * | * | trans | -160.4 | 124.2 | 151 | -108.7 | 166.9 | -161.1 | -155.5 | 4.7 | 114.5 | ||||
| 5 | C | 32.5 | Very low | 34.9 | Very low | 135 Ų | 135 | 149.3 Ų | 149.3 | 91% | 0.912 | 83% | 0.832 | S | S | * | * | trans | 55.3 | 127.4 | 143.7 | -77.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 6 | G | 29.8 | Very low | 34.7 | Very low | 80 Ų | 80 | 147.3 Ų | 147.3 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | 158.9 | 81.6 | 146.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 7 | V | 38.5 | Very low | 34.6 | Very low | 139 Ų | 139 | 146.8 Ų | 146.8 | 84% | 0.842 | 82% | 0.819 | S | S | * | * | trans | -69.7 | 135.7 | 167.5 | 174.7 | 0 | 0 | 0 | 0 | 109.2 | V9 | V7-V9 HydrophobicContact CG1-CG2 4.47Š| ||
| 8 | S | 31 | Very low | 34.3 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -152.8 | 120 | 147.1 | -165.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 9 | V | 35.1 | Very low | 34.3 | Very low | 109 Ų | 109 | 145.1 Ų | 145.1 | 66% | 0.661 | 81% | 0.813 | S | S | * | * | trans | -85.7 | 116.1 | 176.1 | 170.6 | 0 | 0 | 0 | 0 | 107.6 | V7 H11 | V7-V9 HydrophobicContact CG1-CG2 4.47Å; V9-H11 PolarHBondContact O-N 2.79Å | ||
| 10 | C | 31.9 | Very low | 34.3 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | -84 | 102.1 | 165.7 | -77 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 11 | H | 33.9 | Very low | 34.5 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | -119.8 | 105.9 | 156.1 | -84.3 | 42.8 | 0 | 0 | 0 | 107.1 | V9 L13 | V9-H11 PolarHBondContact O-N 2.79Å; H11-L13 PolarHBondContact O-N 3.28Å | ||
| 12 | V | 34.6 | Very low | 35.1 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | trans | -83.5 | 99.7 | 171.2 | 176.8 | 0 | 0 | 0 | 0 | 107.1 | M14 | V12-M14 HydrophobicContact CG1-CG 4.36Š| ||
| 13 | L | 35.6 | Very low | 36.8 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | trans | -84.6 | 103.2 | 165.2 | -108.2 | 135.2 | 0 | 0 | 0 | 107.8 | H11 L15 | H11-L13 PolarHBondContact O-N 3.28Å; L13-L15 PolarHBondContact O-N 3.18Å; L13-L15 VanDerWaalsContact O-N 3.12Å | ||
| 14 | M | 31.9 | Very low | 37.8 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | trans | -73.2 | 94.8 | 166.2 | -83.5 | -77.1 | -101.7 | 0 | 0 | 108.7 | V12 V16 | V12-M14 HydrophobicContact CG1-CG 4.36Å; M14-V16 PolarHBondContact O-N 2.92Å | ||
| 15 | L | 33.3 | Very low | 40.2 | Very low | 147 Ų | 147 | 122.7 Ų | 122.7 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | trans | -74.1 | 100.4 | 163.8 | -103.3 | 145.1 | 0 | 0 | 0 | 108.1 | L13 L17 | L13-L15 PolarHBondContact O-N 3.18Å; L13-L15 VanDerWaalsContact O-N 3.12Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 3.35Å | ||
| 16 | V | 31.8 | Very low | 42.8 | Very low | 116 Ų | 116 | 119 Ų | 119 | 70% | 0.703 | 71% | 0.709 | S | S | * | * | trans | -71.5 | 95.4 | 165.4 | 177.6 | 0 | 0 | 0 | 0 | 107.3 | M14 C18 | M14-V16 PolarHBondContact O-N 2.92Å; V16-C18 VanDerWaalsContact C-N 3.31Å; V16-C18 PolarHBondContact O-N 3.2Å | ||
| 17 | L | 33 | Very low | 45.5 | Very low | 140 Ų | 140 | 116 Ų | 116 | 73% | 0.733 | 67% | 0.673 | S | S | * | * | trans | -68.2 | 92.4 | 160.9 | -85.6 | 156.5 | 0 | 0 | 0 | 107.5 | L15 L19 | L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 3.35Å; L17-L19 PolarHBondContact O-N 3.45Å | ||
| 18 | C | 29.6 | Very low | 47.2 | Very low | 115 Ų | 115 | 113 Ų | 113 | 78% | 0.777 | 66% | 0.656 | S | S | * | * | trans | -68.9 | 75.5 | 158.3 | -77.8 | 0 | 0 | 0 | 0 | 108.3 | V16 S20 | V16-C18 VanDerWaalsContact C-N 3.31Å; V16-C18 PolarHBondContact O-N 3.2Å; C18-S20 VanDerWaalsContact C-N 3.25Å; C18-S20 PolarHBondContact O-N 2.95Å; C18-S20 VanDerWaalsContact O-N 3.08Å | ||
| 19 | L | 33.1 | Very low | 49.3 | Very low | 146 Ų | 146 | 115 Ų | 115 | 76% | 0.764 | 65% | 0.65 | S | S | * | * | trans | -68.5 | 93.2 | 154.9 | -78.6 | 160 | 0 | 0 | 0 | 105.6 | L17 A21 | L17-L19 PolarHBondContact O-N 3.45Å; L19-A21 PolarHBondContact O-N 3.44Å | ||
| 20 | S | 35.1 | Very low | 50.8 | Low | 111 Ų | 111 | 112.8 Ų | 112.8 | 78% | 0.776 | 64% | 0.635 | S | S | * | * | trans | -65.4 | 89.5 | 159.3 | 58 | 0 | 0 | 0 | 0 | 106.2 | C18 A22 | C18-S20 VanDerWaalsContact C-N 3.25Å; C18-S20 PolarHBondContact O-N 2.95Å; C18-S20 VanDerWaalsContact O-N 3.08Å; S20-A22 VanDerWaalsContact C-N 3.29Å; S20-A22 PolarHBondContact O-N 2.88Å | ||
| 21 | A | 37.9 | Very low | 52.4 | Low | 90 Ų | 90 | 113.4 Ų | 113.4 | 74% | 0.744 | 63% | 0.63 | S | S | * | * | trans | -60.8 | 102.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 105.2 | L19 E23 | L19-A21 PolarHBondContact O-N 3.44Å; A21-E23 PolarHBondContact O-N 3.45Å | ||
| 22 | A | 51.2 | Low | 54 | Low | 74 Ų | 74 | 109.9 Ų | 109.9 | 61% | 0.612 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 123.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 105.6 | S20 D24 | S20-A22 VanDerWaalsContact C-N 3.29Å; S20-A22 PolarHBondContact O-N 2.88Å; A22-D24 PolarHBondContact O-N 3.16Å |
| 23 | E | 64.9 | Low | 55.7 | Low | 173 Ų | 173 | 105.4 Ų | 105.4 | 81% | 0.808 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 129 | 173.6 | -69.8 | -177.7 | 158 | 0 | 0 | 108.1 | A21 T403 | A21-E23 PolarHBondContact O-N 3.45Å; E23-T403 WeakPolarHBondContact O-CG2 3.01Å |
| 24 | D | 75.8 | Confident | 58.2 | Low | 151 Ų | 151 | 103.5 Ų | 103.5 | 81% | 0.807 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 148.7 | 174.4 | -70.6 | -37.4 | 0 | 0 | 0 | 110.1 | A22 D26 | A22-D24 PolarHBondContact O-N 3.16Å; D24-D26 PolarHBondContact O-N 3.43Å |
| 25 | F | 84.4 | Confident | 61.2 | Low | 23 Ų | 23 | 98 Ų | 98 | 10% | 0.101 | 57% | 0.565 | C | S | . | * | P | Polyproline II helix | trans | -67.2 | 124.8 | 177.6 | 179.6 | -94.7 | 0 | 0 | 0 | 110.7 | W27 W266 N399 F400 T403 | F25-W27 AromaticContact CD1-CD2 3.94Å; F25-W27 HydrophobicContact CD1-CD2 3.94Å; F25-W27 AromaticContact CD1-CE2 3.86Å; F25-W27 HydrophobicContact CD1-CG 4.05Å; F25-W27 HydrophobicContact CD1-CZ2 4.36Å; F25-W27 AromaticContact CD1-NE1 3.95Å; F25-W27 HydrophobicContact CE1-CD2 4.07Å; F25-W27 HydrophobicContact CE1-CE3 4.24Å; F25-W27 HydrophobicContact CE1-CG 4.37Å; F25-W27 VanDerWaalsContact O-CD1 3.27Å; F25-W27 PolarHBondContact O-N 2.95Å; F25-W27 VanDerWaalsContact O-N 3.14Å; F25-W266 HydrophobicContact CD1-CH2 4.37Å; F25-W266 AromaticContact CE1-CH2 3.51Å; F25-W266 HydrophobicContact CE1-CH2 3.51Å; F25-W266 AromaticContact CE1-CZ2 3.99Å; F25-W266 HydrophobicContact CE1-CZ2 3.99Å; F25-W266 AromaticContact CZ-CH2 3.77Å; F25-W266 HydrophobicContact CZ-CH2 3.77Å; F25-W266 HydrophobicContact CZ-CZ2 4.23Å; F25-N399 HydrophobicContact CE2-CB 4.06Å; F25-F400 HydrophobicContact CB-CD2 4.16Å; F25-F400 HydrophobicContact CD1-CD2 4Å; F25-F400 HydrophobicContact CD2-CB 4.09Å; F25-F400 HydrophobicContact CD2-CD2 4.37Å; F25-F400 HydrophobicContact CE2-CB 3.99Å; F25-F400 HydrophobicContact CG-CB 4.45Å; F25-F400 AromaticContact CG-CD2 3.91Å; F25-F400 HydrophobicContact CG-CD2 3.91Å; F25-F400 HydrophobicContact CZ-CB 4.28Å; F25-T403 HydrophobicContact CB-CG2 4.13Å |
| 26 | D | 86.2 | Confident | 64.2 | Low | 57 Ų | 57 | 94.6 Ų | 94.6 | 31% | 0.305 | 54% | 0.543 | S | S | . | . | trans | -81.6 | 94.1 | -178.6 | -173.9 | -9.8 | 0 | 0 | 0 | 111.4 | D24 T28 K29 | D24-D26 PolarHBondContact O-N 3.43Å; D26-T28 PolarHBondContact O-N 2.8Å; D26-T28 WeakPolarHBondContact OD1-CB 3.23Å; D26-T28 PolarHBondContact OD1-N 2.84Å; D26-T28 PolarHBondContact OD1-OG1 3.04Å; D26-K29 HydrophobicContact CB-CD 4.32Å; D26-K29 PolarHBondContact O-N 3.07Å; D26-K29 PolarHBondContact OD1-N 2.79Å; D26-K29 WeakPolarHBondContact OD2-CD 3.31Å; D26-K29 WeakPolarHBondContact OD2-CE 3.36Å; D26-K29 VanDerWaalsContact OD2-CG 3.27Å; D26-K29 WeakPolarHBondContact OD2-CG 3.15Å; D26-K29 IonicContact OD2-NZ 2.9Å; D26-K29 PolarHBondContact OD2-NZ 3.23Å | ||
| 27 | W | 86.1 | Confident | 67.3 | Low | 17 Ų | 17 | 92.8 Ų | 92.8 | 6% | 0.064 | 52% | 0.524 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -24 | 178.5 | -70.9 | 94 | 0 | 0 | 0 | 113.8 | F25 W266 G267 I278 A281 E282 V285 R396 F400 | F25-W27 AromaticContact CD1-CD2 3.94Å; F25-W27 HydrophobicContact CD1-CD2 3.94Å; F25-W27 AromaticContact CD1-CE2 3.86Å; F25-W27 HydrophobicContact CD1-CG 4.05Å; F25-W27 HydrophobicContact CD1-CZ2 4.36Å; F25-W27 AromaticContact CD1-NE1 3.95Å; F25-W27 HydrophobicContact CE1-CD2 4.07Å; F25-W27 HydrophobicContact CE1-CE3 4.24Å; F25-W27 HydrophobicContact CE1-CG 4.37Å; F25-W27 VanDerWaalsContact O-CD1 3.27Å; F25-W27 PolarHBondContact O-N 2.95Å; F25-W27 VanDerWaalsContact O-N 3.14Å; W27-W266 AromaticContact CE3-CH2 3.94Å; W27-W266 HydrophobicContact CE3-CH2 3.94Å; W27-W266 AromaticContact CE3-CZ2 3.79Å; W27-W266 HydrophobicContact CE3-CZ2 3.79Å; W27-W266 AromaticContact CH2-CH2 3.46Å; W27-W266 HydrophobicContact CH2-CH2 3.46Å; W27-W266 VanDerWaalsContact CH2-CH2 3.46Å; W27-W266 AromaticContact CH2-CZ2 3.99Å; W27-W266 HydrophobicContact CH2-CZ2 3.99Å; W27-W266 HydrophobicContact CH2-CZ3 4.02Å; W27-W266 HydrophobicContact CZ2-CH2 4.28Å; W27-W266 AromaticContact CZ3-CH2 3.26Å; W27-W266 HydrophobicContact CZ3-CH2 3.26Å; W27-W266 AromaticContact CZ3-CZ2 3.28Å; W27-W266 HydrophobicContact CZ3-CZ2 3.28Å; W27-W266 HydrophobicContact CZ3-CZ3 4.15Å; W27-G267 WeakPolarHBondContact CZ3-O 3.39Å; W27-I278 HydrophobicContact CB-CG2 3.82Å; W27-I278 HydrophobicContact CD2-CG2 4.44Å; W27-I278 HydrophobicContact CG-CG2 3.79Å; W27-A281 HydrophobicContact CE3-CB 4.28Å; W27-A281 HydrophobicContact CH2-CB 4.43Å; W27-A281 HydrophobicContact CZ3-CB 3.9Å; W27-E282 HydrophobicContact CH2-CB 4.25Å; W27-E282 VanDerWaalsContact CZ2-CA 3.47Å; W27-E282 HydrophobicContact CZ2-CB 3.53Å; W27-E282 HydrophobicContact CZ2-CG 3.92Å; W27-V285 HydrophobicContact CH2-CG2 4.15Å; W27-R396 PolarHBondContact O-NH1 3.3Å; W27-R396 PolarHBondContact O-NH2 2.82Å; W27-F400 HydrophobicContact CH2-CD2 4.49Å; W27-F400 HydrophobicContact CH2-CE2 4.42Å; W27-F400 HydrophobicContact CZ2-CD2 4.07Å; W27-F400 AromaticContact CZ2-CE2 3.79Å; W27-F400 HydrophobicContact CZ2-CE2 3.79Å |
| 28 | T | 75.7 | Confident | 70.3 | Confident | 77 Ų | 77 | 86.8 Ų | 86.8 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -18.3 | -174.4 | 72.7 | 0 | 0 | 0 | 0 | 113.6 | D26 N30 | D26-T28 PolarHBondContact O-N 2.8Å; D26-T28 WeakPolarHBondContact OD1-CB 3.23Å; D26-T28 PolarHBondContact OD1-N 2.84Å; D26-T28 PolarHBondContact OD1-OG1 3.04Å; T28-N30 PolarHBondContact O-N 3.09Å |
| 29 | K | 75 | Confident | 73.6 | Confident | 151 Ų | 151 | 85.7 Ų | 85.7 | 66% | 0.657 | 49% | 0.486 | S | S | * | . | trans | -82.1 | 94.6 | 177.1 | -81.2 | 177.4 | -171.2 | 146.1 | 0 | 111.9 | D26 R396 | D26-K29 HydrophobicContact CB-CD 4.32Å; D26-K29 PolarHBondContact O-N 3.07Å; D26-K29 PolarHBondContact OD1-N 2.79Å; D26-K29 WeakPolarHBondContact OD2-CD 3.31Å; D26-K29 WeakPolarHBondContact OD2-CE 3.36Å; D26-K29 VanDerWaalsContact OD2-CG 3.27Å; D26-K29 WeakPolarHBondContact OD2-CG 3.15Å; D26-K29 IonicContact OD2-NZ 2.9Å; D26-K29 PolarHBondContact OD2-NZ 3.23Å; K29-R396 PolarHBondContact O-NH1 2.82Å | ||
| 30 | N | 65.8 | Low | 76.7 | Confident | 62 Ų | 62 | 78.9 Ų | 78.9 | 33% | 0.332 | 45% | 0.45 | S | S | . | . | trans | -109.4 | 97.8 | 171.2 | -171.7 | 5.7 | 0 | 0 | 0 | 110.7 | T28 H32 | T28-N30 PolarHBondContact O-N 3.09Å; N30-H32 PolarHBondContact ND2-CE1 3.24Å; N30-H32 PolarHBondContact ND2-NE2 2.87Å; N30-H32 VanDerWaalsContact ND2-NE2 3.12Å; N30-H32 PolarHBondContact OD1-CE1 2.97Å; N30-H32 VanDerWaalsContact OD1-CE1 3.22Å; N30-H32 PolarHBondContact OD1-NE2 3.08Å | ||
| 31 | N | 64.6 | Low | 79.7 | Confident | 131 Ų | 131 | 76.6 Ų | 76.6 | 70% | 0.701 | 43% | 0.432 | S | S | * | . | trans | -117.5 | 94.8 | 176.4 | -158.7 | -2.9 | 0 | 0 | 0 | 110 | G33 R395 | N31-G33 PolarHBondContact O-N 3.3Å; N31-R395 PolarHBondContact O-NH1 2.97Å | ||
| 32 | H | 68.9 | Low | 82.5 | Confident | 85 Ų | 85 | 79.4 Ų | 79.4 | 39% | 0.394 | 44% | 0.441 | S | S | . | . | trans | -59 | -31.1 | 179.5 | -62.9 | -69.9 | 0 | 0 | 0 | 112 | N30 W392 K444 | N30-H32 PolarHBondContact ND2-CE1 3.24Å; N30-H32 PolarHBondContact ND2-NE2 2.87Å; N30-H32 VanDerWaalsContact ND2-NE2 3.12Å; N30-H32 PolarHBondContact OD1-CE1 2.97Å; N30-H32 VanDerWaalsContact OD1-CE1 3.22Å; N30-H32 PolarHBondContact OD1-NE2 3.08Å; H32-W392 AromaticContact CE1-CD1 3.82Å; H32-W392 AromaticContact CE1-CD2 3.51Å; H32-W392 AromaticContact CE1-CE2 3.69Å; H32-W392 AromaticContact CE1-CG 3.63Å; H32-W392 AromaticContact CE1-NE1 3.83Å; H32-W392 AromaticContact ND1-CD1 3.51Å; H32-W392 AromaticContact ND1-CD2 3.68Å; H32-W392 AromaticContact ND1-CG 3.27Å; H32-W392 VanDerWaalsContact ND1-CG 3.27Å; H32-W392 AromaticContact ND1-NE1 3.99Å; H32-K444 PolarHBondContact O-NZ 2.89Å; H32-K444 VanDerWaalsContact O-NZ 3.08Å | ||
| 33 | G | 70.1 | Confident | 84.6 | Confident | 40 Ų | 40 | 79.4 Ų | 79.4 | 41% | 0.412 | 45% | 0.447 | S | S | . | . | trans | 60.5 | 152.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N31 K444 | N31-G33 PolarHBondContact O-N 3.3Å; G33-K444 PolarHBondContact O-NZ 2.74Å | ||
| 34 | S | 88.3 | Confident | 86.2 | Confident | 105 Ų | 105 | 71.7 Ų | 71.7 | 73% | 0.734 | 41% | 0.411 | S | S | * | . | trans | -66 | 160.6 | 171.7 | 60.9 | 0 | 0 | 0 | 0 | 111.3 | Y36 K444 | S34-Y36 PolarHBondContact O-N 2.78Å; S34-K444 WeakPolarHBondContact O-CE 3.32Å; S34-K444 PolarHBondContact O-NZ 3.07Å | ||
| 35 | F | 94.1 | Very high | 87.2 | Confident | 47 Ų | 47 | 65.5 Ų | 65.5 | 21% | 0.206 | 38% | 0.38 | C | S | . | . | trans | -52 | 136.2 | 169.7 | -169.2 | -87.1 | 0 | 0 | 0 | 110.2 | Y37 K436 N440 F506 | F35-Y37 AromaticContact CD1-CD1 3.86Å; F35-Y37 HydrophobicContact CD1-CD1 3.86Å; F35-Y37 HydrophobicContact CD1-CD2 4.16Å; F35-Y37 AromaticContact CD1-CE1 3.46Å; F35-Y37 HydrophobicContact CD1-CE1 3.46Å; F35-Y37 VanDerWaalsContact CD1-CE1 3.46Å; F35-Y37 AromaticContact CD1-CE2 3.8Å; F35-Y37 HydrophobicContact CD1-CE2 3.8Å; F35-Y37 HydrophobicContact CD1-CG 4.18Å; F35-Y37 AromaticContact CD1-CZ 3.43Å; F35-Y37 VanDerWaalsContact CD1-CZ 3.43Å; F35-Y37 AromaticContact CE1-CD1 3.65Å; F35-Y37 HydrophobicContact CE1-CD1 3.65Å; F35-Y37 AromaticContact CE1-CE1 3.37Å; F35-Y37 HydrophobicContact CE1-CE1 3.37Å; F35-Y37 HydrophobicContact CE1-CG 4.33Å; F35-Y37 AromaticContact CE1-CZ 3.87Å; F35-K436 HydrophobicContact CE2-CD 4.27Å; F35-K436 VanDerWaalsContact CE2-CE 3.49Å; F35-K436 HydrophobicContact CE2-CG 3.73Å; F35-K436 HydrophobicContact CZ-CG 4.09Å; F35-N440 HydrophobicContact CD2-CB 4.02Å; F35-N440 WeakPolarHBondContact CE1-ND2 3.47Å; F35-N440 HydrophobicContact CE2-CB 3.54Å; F35-N440 WeakPolarHBondContact CE2-ND2 3.4Å; F35-N440 HydrophobicContact CZ-CB 4.04Å; F35-N440 WeakPolarHBondContact CZ-ND2 3.42Å; F35-F506 HydrophobicContact CE1-CB 3.93Å; F35-F506 HydrophobicContact CE1-CD1 4.33Å; F35-F506 HydrophobicContact CE1-CD2 4.4Å; F35-F506 AromaticContact CE1-CG 3.98Å; F35-F506 HydrophobicContact CE1-CG 3.98Å; F35-F506 HydrophobicContact CZ-CB 4.19Å; F35-F506 AromaticContact CZ-CD1 3.76Å; F35-F506 HydrophobicContact CZ-CD1 3.76Å; F35-F506 HydrophobicContact CZ-CD2 4.01Å; F35-F506 HydrophobicContact CZ-CE1 4.06Å; F35-F506 HydrophobicContact CZ-CE2 4.3Å; F35-F506 AromaticContact CZ-CG 3.72Å; F35-F506 HydrophobicContact CZ-CG 3.72Å; F35-F506 HydrophobicContact CZ-CZ 4.31Å | ||
| 36 | Y | 96.2 | Very high | 87.9 | Confident | 75 Ų | 75 | 64.5 Ų | 64.5 | 29% | 0.294 | 38% | 0.376 | S | S | . | . | trans | -105.1 | 118.7 | -177.4 | 178.7 | -113.9 | 0 | 0 | 0 | 111.2 | S34 N440 L443 | S34-Y36 PolarHBondContact O-N 2.78Å; Y36-N440 PolarHBondContact N-OD1 3.02Å; Y36-N440 PolarHBondContact O-ND2 3.14Å; Y36-L443 HydrophobicContact CD1-CD2 3.58Å; Y36-L443 HydrophobicContact CD1-CG 3.69Å; Y36-L443 HydrophobicContact CE1-CD1 4.5Å; Y36-L443 HydrophobicContact CE1-CD2 3.89Å; Y36-L443 HydrophobicContact CE1-CG 3.9Å | ||
| 37 | Y | 97.4 | Very high | 88.5 | Confident | 79 Ų | 79 | 61.8 Ų | 61.8 | 31% | 0.31 | 36% | 0.361 | S | S | . | . | trans | -90.8 | 120.4 | 172.1 | -60.5 | -76.5 | 0 | 0 | 0 | 109.2 | F35 F506 N508 Q509 V512 | F35-Y37 AromaticContact CD1-CD1 3.86Å; F35-Y37 HydrophobicContact CD1-CD1 3.86Å; F35-Y37 HydrophobicContact CD1-CD2 4.16Å; F35-Y37 AromaticContact CD1-CE1 3.46Å; F35-Y37 HydrophobicContact CD1-CE1 3.46Å; F35-Y37 VanDerWaalsContact CD1-CE1 3.46Å; F35-Y37 AromaticContact CD1-CE2 3.8Å; F35-Y37 HydrophobicContact CD1-CE2 3.8Å; F35-Y37 HydrophobicContact CD1-CG 4.18Å; F35-Y37 AromaticContact CD1-CZ 3.43Å; F35-Y37 VanDerWaalsContact CD1-CZ 3.43Å; F35-Y37 AromaticContact CE1-CD1 3.65Å; F35-Y37 HydrophobicContact CE1-CD1 3.65Å; F35-Y37 AromaticContact CE1-CE1 3.37Å; F35-Y37 HydrophobicContact CE1-CE1 3.37Å; F35-Y37 HydrophobicContact CE1-CG 4.33Å; F35-Y37 AromaticContact CE1-CZ 3.87Å; Y37-F506 CarbonylContact C-O 3.57Å; Y37-F506 VanDerWaalsContact C-O 3.32Å; Y37-F506 WeakPolarHBondContact CA-O 3.33Å; Y37-F506 WeakPolarHBondContact CB-O 3.45Å; Y37-F506 HydrophobicContact CD1-CB 4.26Å; Y37-N508 VanDerWaalsContact CE1-C 3.45Å; Y37-Q509 HydrophobicContact CE1-CB 3.98Å; Y37-Q509 HydrophobicContact CE2-CB 4.09Å; Y37-Q509 VanDerWaalsContact CZ-CA 3.49Å; Y37-Q509 VanDerWaalsContact OH-CB 3.31Å; Y37-Q509 WeakPolarHBondContact OH-CB 3.09Å; Y37-Q509 WeakPolarHBondContact OH-CG 3.18Å; Y37-V512 HydrophobicContact CE1-CG2 4.39Å | ||
| 38 | G | 96.8 | Very high | 89.1 | Confident | 14 Ų | 14 | 61 Ų | 61 | 14% | 0.144 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.7 | 179.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F506 | G38-F506 PolarHBondContact N-O 2.84Å; G38-F506 PolarHBondContact O-N 3.14Å |
| 39 | T | 97.6 | Very high | 90.2 | Very high | 91 Ų | 91 | 57.4 Ų | 57.4 | 56% | 0.558 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113 | 151.9 | -179.8 | 52.5 | 0 | 0 | 0 | 0 | 111.4 | N504 | T39-N504 CarbonylContact C-O 3.54Å; T39-N504 VanDerWaalsContact CA-O 3.23Å; T39-N504 WeakPolarHBondContact CA-O 3.29Å; T39-N504 WeakPolarHBondContact CB-O 3.47Å |
| 40 | F | 98.4 | Very high | 91.3 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 159.8 | 170.7 | -72.6 | -96.1 | 0 | 0 | 0 | 110.4 | F44 W46 I439 M442 L443 I446 N504 | F40-F44 HydrophobicContact CB-CB 3.89Å; F40-F44 HydrophobicContact CB-CD1 4.26Å; F40-F44 HydrophobicContact CB-CD2 4.22Å; F40-F44 HydrophobicContact CB-CG 3.87Å; F40-F44 HydrophobicContact CD1-CD1 4.15Å; F40-F44 AromaticContact CD1-CD2 3.85Å; F40-F44 HydrophobicContact CD1-CD2 3.85Å; F40-F44 HydrophobicContact CD1-CE1 4.02Å; F40-F44 AromaticContact CD1-CE2 3.72Å; F40-F44 HydrophobicContact CD1-CE2 3.72Å; F40-F44 HydrophobicContact CD1-CG 4.06Å; F40-F44 AromaticContact CD1-CZ 3.81Å; F40-F44 HydrophobicContact CD1-CZ 3.81Å; F40-F44 HydrophobicContact CE1-CE1 4.37Å; F40-F44 HydrophobicContact CE1-CE2 4.25Å; F40-F44 HydrophobicContact CE1-CZ 4.03Å; F40-F44 HydrophobicContact CG-CD1 4.27Å; F40-F44 HydrophobicContact CG-CD2 4.42Å; F40-F44 HydrophobicContact CG-CE1 4.48Å; F40-F44 HydrophobicContact CG-CG 4.23Å; F40-W46 HydrophobicContact CB-CZ2 4.4Å; F40-W46 HydrophobicContact CD1-CH2 4.45Å; F40-W46 HydrophobicContact CD1-CZ2 4.31Å; F40-W46 AromaticContact CD2-CH2 3.76Å; F40-W46 HydrophobicContact CD2-CH2 3.76Å; F40-W46 AromaticContact CD2-CZ2 3.39Å; F40-W46 HydrophobicContact CD2-CZ2 3.39Å; F40-W46 HydrophobicContact CE1-CH2 4.22Å; F40-W46 AromaticContact CE2-CH2 3.44Å; F40-W46 HydrophobicContact CE2-CH2 3.44Å; F40-W46 VanDerWaalsContact CE2-CH2 3.44Å; F40-W46 AromaticContact CE2-CZ2 3.61Å; F40-W46 HydrophobicContact CE2-CZ2 3.61Å; F40-W46 HydrophobicContact CG-CH2 4.25Å; F40-W46 AromaticContact CG-CZ2 3.76Å; F40-W46 HydrophobicContact CG-CZ2 3.76Å; F40-W46 AromaticContact CZ-CH2 3.69Å; F40-W46 HydrophobicContact CZ-CH2 3.69Å; F40-W46 HydrophobicContact CZ-CZ2 4.17Å; F40-I439 HydrophobicContact CE2-CG2 3.82Å; F40-I439 HydrophobicContact CZ-CG2 3.54Å; F40-I439 WeakPolarHBondContact CZ-O 3.35Å; F40-M442 HydrophobicContact CD1-CE 4.35Å; F40-M442 HydrophobicContact CE1-CE 3.34Å; F40-M442 HydrophobicContact CE1-CG 4.26Å; F40-M442 HydrophobicContact CE1-SD 4.44Å; F40-M442 HydrophobicContact CZ-CE 3.57Å; F40-L443 HydrophobicContact CD1-CD1 3.93Å; F40-L443 HydrophobicContact CD2-CD1 3.95Å; F40-L443 HydrophobicContact CE1-CB 3.96Å; F40-L443 HydrophobicContact CE1-CD1 3.94Å; F40-L443 HydrophobicContact CE2-CB 4.1Å; F40-L443 HydrophobicContact CE2-CD1 4.01Å; F40-L443 HydrophobicContact CE2-CD2 4.21Å; F40-L443 HydrophobicContact CE2-CG 4.32Å; F40-L443 HydrophobicContact CG-CD1 3.93Å; F40-L443 HydrophobicContact CZ-CB 3.6Å; F40-L443 HydrophobicContact CZ-CD1 4.01Å; F40-L443 HydrophobicContact CZ-CG 4.24Å; F40-I446 HydrophobicContact CD1-CD1 3.5Å; F40-I446 VanDerWaalsContact CD1-CD1 3.5Å; F40-I446 HydrophobicContact CE1-CD1 3.69Å; F40-N504 PolarHBondContact N-O 3.46Å; F40-N504 PolarHBondContact O-ND2 3.33Å |
| 41 | P | 97.4 | Very high | 92.8 | Very high | 63 Ų | 63 | 47.4 Ų | 47.4 | 41% | 0.409 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 149.4 | 175.6 | -26.1 | 35.1 | 0 | 0 | 0 | 112.4 | G43 F44 I446 N504 | P41-G43 PolarHBondContact O-N 2.98Å; P41-F44 VanDerWaalsContact O-CB 3.29Å; P41-F44 WeakPolarHBondContact O-CB 3.34Å; P41-F44 PolarHBondContact O-N 3.05Å; P41-F44 VanDerWaalsContact O-N 3.12Å; P41-I446 HydrophobicContact CG-CG2 3.86Å; P41-N504 PolarHBondContact O-ND2 2.9Å |
| 42 | T | 96.6 | Very high | 94.4 | Very high | 149 Ų | 149 | 41.3 Ų | 41.3 | 91% | 0.914 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 133.8 | 172.2 | -54.3 | 0 | 0 | 0 | 0 | 110 | ||
| 43 | G | 95.6 | Very high | 95.8 | Very high | 73 Ų | 73 | 37.8 Ų | 37.8 | 75% | 0.753 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | 8.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | P41 S45 | P41-G43 PolarHBondContact O-N 2.98Å; G43-S45 PolarHBondContact O-N 3.13Å |
| 44 | F | 98.6 | Very high | 97.2 | Very high | 11 Ų | 11 | 35.9 Ų | 35.9 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -60.3 | 130.7 | 169.8 | -167.3 | -90.4 | 0 | 0 | 0 | 110.7 | F40 P41 W46 M442 I446 V452 | F40-F44 HydrophobicContact CB-CB 3.89Å; F40-F44 HydrophobicContact CB-CD1 4.26Å; F40-F44 HydrophobicContact CB-CD2 4.22Å; F40-F44 HydrophobicContact CB-CG 3.87Å; F40-F44 HydrophobicContact CD1-CD1 4.15Å; F40-F44 AromaticContact CD1-CD2 3.85Å; F40-F44 HydrophobicContact CD1-CD2 3.85Å; F40-F44 HydrophobicContact CD1-CE1 4.02Å; F40-F44 AromaticContact CD1-CE2 3.72Å; F40-F44 HydrophobicContact CD1-CE2 3.72Å; F40-F44 HydrophobicContact CD1-CG 4.06Å; F40-F44 AromaticContact CD1-CZ 3.81Å; F40-F44 HydrophobicContact CD1-CZ 3.81Å; F40-F44 HydrophobicContact CE1-CE1 4.37Å; F40-F44 HydrophobicContact CE1-CE2 4.25Å; F40-F44 HydrophobicContact CE1-CZ 4.03Å; F40-F44 HydrophobicContact CG-CD1 4.27Å; F40-F44 HydrophobicContact CG-CD2 4.42Å; F40-F44 HydrophobicContact CG-CE1 4.48Å; F40-F44 HydrophobicContact CG-CG 4.23Å; P41-F44 VanDerWaalsContact O-CB 3.29Å; P41-F44 WeakPolarHBondContact O-CB 3.34Å; P41-F44 PolarHBondContact O-N 3.05Å; P41-F44 VanDerWaalsContact O-N 3.12Å; F44-W46 AromaticContact CD1-CD2 3.94Å; F44-W46 HydrophobicContact CD1-CD2 3.94Å; F44-W46 AromaticContact CD1-CE2 3.47Å; F44-W46 VanDerWaalsContact CD1-CE2 3.47Å; F44-W46 HydrophobicContact CD1-CG 4.33Å; F44-W46 HydrophobicContact CD1-CH2 4.29Å; F44-W46 AromaticContact CD1-CZ2 3.68Å; F44-W46 HydrophobicContact CD1-CZ2 3.68Å; F44-W46 AromaticContact CD1-NE1 3.59Å; F44-W46 AromaticContact CE1-CD2 3.95Å; F44-W46 HydrophobicContact CE1-CD2 3.95Å; F44-W46 AromaticContact CE1-CE2 3.76Å; F44-W46 HydrophobicContact CE1-CE3 4.07Å; F44-W46 AromaticContact CE1-CH2 3.84Å; F44-W46 HydrophobicContact CE1-CH2 3.84Å; F44-W46 AromaticContact CE1-CZ2 3.72Å; F44-W46 HydrophobicContact CE1-CZ2 3.72Å; F44-W46 HydrophobicContact CE1-CZ3 4.01Å; F44-M442 HydrophobicContact CE1-CE 4.14Å; F44-M442 HydrophobicContact CZ-CE 3.64Å; F44-M442 HydrophobicContact CZ-SD 3.98Å; F44-I446 HydrophobicContact CD2-CD1 4.38Å; F44-I446 HydrophobicContact CE2-CD1 3.9Å; F44-V452 HydrophobicContact CE2-CB 4.4Å; F44-V452 HydrophobicContact CE2-CG1 3.96Å; F44-V452 HydrophobicContact CZ-CG1 4.31Å |
| 45 | S | 98.4 | Very high | 97.7 | Very high | 22 Ų | 22 | 31.3 Ų | 31.3 | 15% | 0.154 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 119.2 | -173.7 | -165.6 | 0 | 0 | 0 | 0 | 111.6 | G43 H109 K453 G454 Y455 | G43-S45 PolarHBondContact O-N 3.13Å; S45-H109 PolarHBondContact O-CE1 3.04Å; S45-H109 PolarHBondContact OG-ND1 3.15Å; S45-K453 PolarHBondContact N-O 2.98Å; S45-G454 CarbonylContact O-C 3.54Å; S45-G454 WeakPolarHBondContact O-CA 3.5Å; S45-Y455 PolarHBondContact O-N 3.43Å |
| 46 | W | 98.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 134.2 | 176.5 | -61.7 | 94.8 | 0 | 0 | 0 | 112 | F40 F44 N108 H109 I439 M442 Y455 Y497 I500 I501 N504 | F40-W46 HydrophobicContact CB-CZ2 4.4Å; F40-W46 HydrophobicContact CD1-CH2 4.45Å; F40-W46 HydrophobicContact CD1-CZ2 4.31Å; F40-W46 AromaticContact CD2-CH2 3.76Å; F40-W46 HydrophobicContact CD2-CH2 3.76Å; F40-W46 AromaticContact CD2-CZ2 3.39Å; F40-W46 HydrophobicContact CD2-CZ2 3.39Å; F40-W46 HydrophobicContact CE1-CH2 4.22Å; F40-W46 AromaticContact CE2-CH2 3.44Å; F40-W46 HydrophobicContact CE2-CH2 3.44Å; F40-W46 VanDerWaalsContact CE2-CH2 3.44Å; F40-W46 AromaticContact CE2-CZ2 3.61Å; F40-W46 HydrophobicContact CE2-CZ2 3.61Å; F40-W46 HydrophobicContact CG-CH2 4.25Å; F40-W46 AromaticContact CG-CZ2 3.76Å; F40-W46 HydrophobicContact CG-CZ2 3.76Å; F40-W46 AromaticContact CZ-CH2 3.69Å; F40-W46 HydrophobicContact CZ-CH2 3.69Å; F40-W46 HydrophobicContact CZ-CZ2 4.17Å; F44-W46 AromaticContact CD1-CD2 3.94Å; F44-W46 HydrophobicContact CD1-CD2 3.94Å; F44-W46 AromaticContact CD1-CE2 3.47Å; F44-W46 VanDerWaalsContact CD1-CE2 3.47Å; F44-W46 HydrophobicContact CD1-CG 4.33Å; F44-W46 HydrophobicContact CD1-CH2 4.29Å; F44-W46 AromaticContact CD1-CZ2 3.68Å; F44-W46 HydrophobicContact CD1-CZ2 3.68Å; F44-W46 AromaticContact CD1-NE1 3.59Å; F44-W46 AromaticContact CE1-CD2 3.95Å; F44-W46 HydrophobicContact CE1-CD2 3.95Å; F44-W46 AromaticContact CE1-CE2 3.76Å; F44-W46 HydrophobicContact CE1-CE3 4.07Å; F44-W46 AromaticContact CE1-CH2 3.84Å; F44-W46 HydrophobicContact CE1-CH2 3.84Å; F44-W46 AromaticContact CE1-CZ2 3.72Å; F44-W46 HydrophobicContact CE1-CZ2 3.72Å; F44-W46 HydrophobicContact CE1-CZ3 4.01Å; W46-N108 WeakPolarHBondContact CB-OD1 3.47Å; W46-N108 PolarHBondContact N-OD1 2.89Å; W46-N108 WeakPolarHBondContact O-CA 3.45Å; W46-N108 WeakPolarHBondContact O-CB 3.5Å; W46-N108 PolarHBondContact O-N 3.18Å; W46-H109 PolarHBondContact O-N 2.83Å; W46-I439 HydrophobicContact CH2-CG2 3.68Å; W46-I439 HydrophobicContact CZ3-CD1 4.23Å; W46-I439 HydrophobicContact CZ3-CG2 3.98Å; W46-M442 HydrophobicContact CH2-CE 4.25Å; W46-M442 HydrophobicContact CZ3-CE 4.32Å; W46-Y455 HydrophobicContact CE3-CD1 4.08Å; W46-Y455 HydrophobicContact CE3-CG 4.45Å; W46-Y455 HydrophobicContact CZ3-CD1 4.01Å; W46-Y455 HydrophobicContact CZ3-CG 4.19Å; W46-Y497 AromaticContact CE3-CE2 3.92Å; W46-Y497 HydrophobicContact CE3-CE2 3.92Å; W46-Y497 HydrophobicContact CZ3-CE2 4.23Å; W46-I500 HydrophobicContact CE3-CG2 4.49Å; W46-I500 HydrophobicContact CH2-CG2 3.64Å; W46-I500 HydrophobicContact CZ2-CG2 3.99Å; W46-I500 HydrophobicContact CZ3-CG2 3.92Å; W46-I501 HydrophobicContact CB-CB 4.36Å; W46-I501 HydrophobicContact CB-CD1 4.12Å; W46-I501 HydrophobicContact CB-CG1 3.69Å; W46-I501 HydrophobicContact CB-CG2 3.98Å; W46-I501 HydrophobicContact CD2-CG1 4.19Å; W46-I501 HydrophobicContact CE3-CG1 4.5Å; W46-I501 HydrophobicContact CG-CB 4.29Å; W46-I501 HydrophobicContact CG-CG1 3.85Å; W46-I501 HydrophobicContact CG-CG2 4.1Å; W46-N504 PolarHBondContact NE1-OD1 3.44Å |
| 47 | G | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | -178.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | H109 Y455 A457 Y497 | G47-H109 WeakPolarHBondContact CA-O 3.41Å; G47-H109 PolarHBondContact N-CE1 3.31Å; G47-H109 VanDerWaalsContact N-CE1 3.26Å; G47-Y455 PolarHBondContact N-O 3.11Å; G47-A457 PolarHBondContact O-N 3.12Å; G47-Y497 PolarHBondContact O-OH 3.33Å |
| 48 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 159.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | L107 Y110 R111 A457 L460 | A48-L107 HydrophobicContact CB-CD1 3.7Å; A48-L107 HydrophobicContact CB-CD2 4.44Å; A48-Y110 WeakPolarHBondContact O-CD2 3.23Å; A48-R111 PolarHBondContact O-N 2.97Å; A48-A457 CarbonylContact C-O 3.33Å; A48-A457 WeakPolarHBondContact CA-O 3.3Å; A48-A457 HydrophobicContact CB-CB 4.43Å; A48-L460 HydrophobicContact CB-CB 3.92Å; A48-L460 HydrophobicContact CB-CD1 4.19Å |
| 49 | G | 97.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 156.2 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | R111 A457 S459 L460 | G49-R111 CarbonylContact C-O 3.53Å; G49-R111 VanDerWaalsContact CA-O 3.29Å; G49-R111 WeakPolarHBondContact CA-O 2.95Å; G49-A457 PolarHBondContact N-O 3.37Å; G49-S459 WeakPolarHBondContact O-CA 3.34Å; G49-S459 WeakPolarHBondContact O-CB 3.4Å; G49-L460 PolarHBondContact O-N 3.18Å |
| 50 | G | 97.3 | Very high | 98.1 | Very high | 3 Ų | 3 | 24 Ų | 24 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | trans | -149 | 171.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | R111 F112 | G50-R111 PolarHBondContact N-O 2.9Å; G50-F112 WeakPolarHBondContact O-CA 3.17Å | ||
| 51 | S | 98.1 | Very high | 98.1 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | trans | -132.8 | 156.4 | 171.1 | 77.9 | 0 | 0 | 0 | 0 | 110.8 | Q54 T55 H157 | S51-Q54 PolarHBondContact O-N 3.19Å; S51-Q54 WeakPolarHBondContact OG-CB 3.39Å; S51-Q54 VanDerWaalsContact OG-CD 3.23Å; S51-Q54 WeakPolarHBondContact OG-CG 3.31Å; S51-Q54 PolarHBondContact OG-OE1 3.33Å; S51-T55 WeakPolarHBondContact O-CB 3.4Å; S51-T55 PolarHBondContact O-N 3.38Å; S51-T55 PolarHBondContact O-OG1 3.46Å; S51-H157 VanDerWaalsContact CB-ND1 3.29Å; S51-H157 WeakPolarHBondContact CB-ND1 3.3Å | ||
| 52 | A | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 2% | 0.017 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.1 | -60.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q54 T55 E56 S113 | A52-Q54 PolarHBondContact O-N 3.16Å; A52-T55 PolarHBondContact O-N 3.41Å; A52-E56 WeakPolarHBondContact CA-OE1 3.44Å; A52-E56 HydrophobicContact CB-CG 4.36Å; A52-E56 WeakPolarHBondContact CB-OE1 3.16Å; A52-E56 WeakPolarHBondContact O-CB 3.11Å; A52-E56 VanDerWaalsContact O-CG 3.31Å; A52-E56 WeakPolarHBondContact O-CG 3.28Å; A52-E56 PolarHBondContact O-N 3.01Å; A52-S113 WeakPolarHBondContact CB-OG 3.39Å; A52-S113 PolarHBondContact N-OG 2.89Å |
| 53 | Y | 98.7 | Very high | 98.2 | Very high | 12 Ų | 12 | 24 Ų | 24 | 5% | 0.047 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.1 | -38.9 | -178.2 | -168.3 | -97.1 | 0 | 0 | 0 | 112.2 | T55 W69 D70 S73 G85 S88 F464 W466 | Y53-T55 PolarHBondContact O-N 2.96Å; Y53-W69 HydrophobicContact CD1-CB 3.78Å; Y53-W69 HydrophobicContact CD1-CG 4.11Å; Y53-W69 HydrophobicContact CD2-CB 3.75Å; Y53-W69 HydrophobicContact CE1-CB 3.56Å; Y53-W69 HydrophobicContact CE1-CE3 4.5Å; Y53-W69 HydrophobicContact CE1-CG 4.18Å; Y53-W69 HydrophobicContact CE2-CB 3.51Å; Y53-W69 HydrophobicContact CG-CB 3.89Å; Y53-W69 HydrophobicContact CG-CG 4.38Å; Y53-W69 VanDerWaalsContact CZ-CB 3.43Å; Y53-W69 PolarHBondContact OH-O 3.12Å; Y53-D70 WeakPolarHBondContact CE2-OD1 3.33Å; Y53-S73 PolarHBondContact OH-OG 3.06Å; Y53-G85 PolarHBondContact OH-N 3.01Å; Y53-S88 PolarHBondContact O-OG 3.34Å; Y53-F464 AromaticContact CD1-CD1 4Å; Y53-F464 HydrophobicContact CD1-CD1 4Å; Y53-F464 HydrophobicContact CD1-CE1 4.26Å; Y53-F464 AromaticContact CE1-CD1 3.72Å; Y53-F464 HydrophobicContact CE1-CD1 3.72Å; Y53-F464 AromaticContact CE1-CE1 3.64Å; Y53-F464 HydrophobicContact CE1-CE1 3.64Å; Y53-F464 HydrophobicContact CE1-CZ 4.45Å; Y53-W466 HydrophobicContact CD1-CE3 4.46Å; Y53-W466 AromaticContact CD1-CZ3 3.96Å; Y53-W466 HydrophobicContact CD1-CZ3 3.96Å; Y53-W466 HydrophobicContact CG-CZ3 4.44Å |
| 54 | Q | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -75.9 | -24.2 | -173.8 | -57.9 | -179.2 | -73.6 | 0 | 0 | 113.8 | S51 A52 S88 K463 F464 E465 W466 | S51-Q54 PolarHBondContact O-N 3.19Å; S51-Q54 WeakPolarHBondContact OG-CB 3.39Å; S51-Q54 VanDerWaalsContact OG-CD 3.23Å; S51-Q54 WeakPolarHBondContact OG-CG 3.31Å; S51-Q54 PolarHBondContact OG-OE1 3.33Å; A52-Q54 PolarHBondContact O-N 3.16Å; Q54-S88 VanDerWaalsContact O-CB 3.3Å; Q54-S88 WeakPolarHBondContact O-CB 3.38Å; Q54-S88 PolarHBondContact O-OG 3.04Å; Q54-K463 HydrophobicContact CB-CB 4.19Å; Q54-K463 HydrophobicContact CB-CG 3.95Å; Q54-K463 WeakPolarHBondContact O-CB 3.2Å; Q54-F464 WeakPolarHBondContact CG-O 3.43Å; Q54-F464 PolarHBondContact NE2-O 3.3Å; Q54-F464 PolarHBondContact O-N 3.05Å; Q54-F464 VanDerWaalsContact O-N 3.11Å; Q54-E465 PolarHBondContact NE2-OE1 2.94Å; Q54-W466 HydrophobicContact CG-CD2 4.24Å; Q54-W466 HydrophobicContact CG-CE3 4.28Å; Q54-W466 HydrophobicContact CG-CH2 3.72Å; Q54-W466 HydrophobicContact CG-CZ2 3.62Å; Q54-W466 HydrophobicContact CG-CZ3 4.04Å |
| 55 | T | 98.4 | Very high | 98.3 | Very high | 9 Ų | 9 | 21.5 Ų | 21.5 | 6% | 0.055 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -120 | -36 | -172.3 | 60.9 | 0 | 0 | 0 | 0 | 114.5 | S51 A52 Y53 C89 E90 S91 K463 | S51-T55 WeakPolarHBondContact O-CB 3.4Å; S51-T55 PolarHBondContact O-N 3.38Å; S51-T55 PolarHBondContact O-OG1 3.46Å; A52-T55 PolarHBondContact O-N 3.41Å; Y53-T55 PolarHBondContact O-N 2.96Å; T55-C89 CarbonylContact O-C 3.53Å; T55-C89 WeakPolarHBondContact O-CA 3.26Å; T55-C89 VanDerWaalsContact O-CB 3.24Å; T55-C89 WeakPolarHBondContact O-CB 3.45Å; T55-C89 PolarHBondContact O-N 2.72Å; T55-E90 PolarHBondContact O-N 3.24Å; T55-S91 WeakPolarHBondContact O-CB 3.32Å; T55-S91 PolarHBondContact O-N 3.25Å; T55-S91 VanDerWaalsContact O-N 3.12Å; T55-K463 HydrophobicContact CG2-CB 3.96Å |
| 56 | E | 98.6 | Very high | 98.3 | Very high | 6 Ų | 6 | 24.4 Ų | 24.4 | 3% | 0.028 | 14% | 0.137 | C | C | . | . | trans | -66.9 | -48.2 | -169.6 | -70.9 | 176.9 | -170.5 | 0 | 0 | 113.7 | A52 E90 S91 Y92 R118 Y136 Y137 | A52-E56 WeakPolarHBondContact CA-OE1 3.44Å; A52-E56 HydrophobicContact CB-CG 4.36Å; A52-E56 WeakPolarHBondContact CB-OE1 3.16Å; A52-E56 WeakPolarHBondContact O-CB 3.11Å; A52-E56 VanDerWaalsContact O-CG 3.31Å; A52-E56 WeakPolarHBondContact O-CG 3.28Å; A52-E56 PolarHBondContact O-N 3.01Å; E56-E90 CarbonylContact O-C 3.42Å; E56-E90 VanDerWaalsContact O-CA 3.31Å; E56-E90 WeakPolarHBondContact O-CA 3.44Å; E56-S91 PolarHBondContact O-N 3.27Å; E56-Y92 WeakPolarHBondContact O-CB 3.1Å; E56-Y92 PolarHBondContact O-N 3.21Å; E56-Y92 VanDerWaalsContact O-N 3.12Å; E56-R118 IonicContact OE2-CZ 2.76Å; E56-R118 IonicContact OE2-NE 3.74Å; E56-R118 PolarHBondContact OE2-NE 2.99Å; E56-R118 IonicContact OE2-NH2 3.18Å; E56-R118 PolarHBondContact OE2-NH2 3.4Å; E56-Y136 HydrophobicContact CG-CE1 4.22Å; E56-Y137 VanDerWaalsContact CD-OH 3.27Å; E56-Y137 VanDerWaalsContact OE1-CE1 3.31Å; E56-Y137 WeakPolarHBondContact OE1-CE1 3.15Å; E56-Y137 VanDerWaalsContact OE1-CZ 3.29Å; E56-Y137 PolarHBondContact OE1-OH 3Å; E56-Y137 PolarHBondContact OE2-OH 3.49Å | ||
| 57 | G | 98.1 | Very high | 98.3 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 4% | 0.041 | 14% | 0.137 | C | C | . | . | trans | 65.4 | -145.7 | -163.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | W59 D86 S87 R118 | G57-W59 PolarHBondContact O-N 3.27Å; G57-W59 VanDerWaalsContact O-N 3.12Å; G57-D86 CarbonylContact C-O 3.6Å; G57-D86 WeakPolarHBondContact CA-O 3.41Å; G57-S87 WeakPolarHBondContact CA-O 3.22Å; G57-R118 PolarHBondContact O-NH2 2.78Å | ||
| 58 | A | 98.1 | Very high | 98.3 | Very high | 6 Ų | 6 | 24.6 Ų | 24.6 | 5% | 0.05 | 14% | 0.138 | C | C | . | . | trans | 48.7 | 44.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | D60 K61 D86 Y92 Y93 R118 | A58-D60 VanDerWaalsContact C-N 3.25Å; A58-D60 PolarHBondContact O-N 3.01Å; A58-K61 HydrophobicContact CB-CB 4.03Å; A58-K61 HydrophobicContact CB-CG 3.92Å; A58-K61 PolarHBondContact O-N 3.05Å; A58-D86 PolarHBondContact N-O 3.49Å; A58-Y92 HydrophobicContact CB-CD1 3.39Å; A58-Y92 HydrophobicContact CB-CD2 4.41Å; A58-Y92 HydrophobicContact CB-CE1 4.09Å; A58-Y92 HydrophobicContact CB-CG 3.57Å; A58-Y93 HydrophobicContact CB-CE2 3.93Å; A58-R118 PolarHBondContact O-NH1 2.7Å | ||
| 59 | W | 98 | Very high | 98.3 | Very high | 60 Ų | 60 | 24.7 Ų | 24.7 | 23% | 0.227 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -25.6 | -163.8 | 73.4 | -77.8 | 0 | 0 | 0 | 114 | G57 K64 L66 D70 H74 D86 | G57-W59 PolarHBondContact O-N 3.27Å; G57-W59 VanDerWaalsContact O-N 3.12Å; W59-K64 VanDerWaalsContact O-CD 3.22Å; W59-K64 WeakPolarHBondContact O-CD 3.34Å; W59-K64 WeakPolarHBondContact O-CG 3.28Å; W59-K64 PolarHBondContact O-NZ 3.38Å; W59-L66 HydrophobicContact CE3-CD2 3.97Å; W59-L66 HydrophobicContact CH2-CD2 4.32Å; W59-L66 HydrophobicContact CZ3-CD2 3.34Å; W59-D70 WeakPolarHBondContact CB-OD1 3.49Å; W59-D70 HydrophobicContact CE3-CB 3.92Å; W59-D70 HydrophobicContact CZ3-CB 4.2Å; W59-H74 AromaticContact CH2-CE1 3.67Å; W59-H74 AromaticContact CZ2-CE1 3.9Å; W59-H74 AromaticContact CZ3-CE1 3.71Å; W59-D86 VanDerWaalsContact CD1-CA 3.42Å; W59-D86 HydrophobicContact CG-CB 4.12Å |
| 60 | D | 98 | Very high | 98.4 | Very high | 76 Ų | 76 | 24.6 Ų | 24.6 | 41% | 0.406 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 14.4 | -178 | 71.1 | -23.6 | 0 | 0 | 0 | 113 | A58 | A58-D60 VanDerWaalsContact C-N 3.25Å; A58-D60 PolarHBondContact O-N 3.01Å |
| 61 | K | 98.6 | Very high | 98.4 | Very high | 86 Ų | 86 | 26.3 Ų | 26.3 | 37% | 0.374 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -95.7 | 151.3 | -172.2 | -57.4 | -63 | 177.6 | -121.8 | 0 | 112.4 | A58 G63 K64 Y93 | A58-K61 HydrophobicContact CB-CB 4.03Å; A58-K61 HydrophobicContact CB-CG 3.92Å; A58-K61 PolarHBondContact O-N 3.05Å; K61-G63 PolarHBondContact O-N 3.42Å; K61-G63 VanDerWaalsContact O-N 3.08Å; K61-K64 WeakPolarHBondContact O-CB 3.39Å; K61-K64 PolarHBondContact O-N 3.42Å; K61-Y93 WeakPolarHBondContact CG-OH 3.41Å |
| 62 | D | 98.2 | Very high | 98.4 | Very high | 83 Ų | 83 | 26.4 Ų | 26.4 | 44% | 0.444 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 39 | 173.5 | -58.7 | -41.1 | 0 | 0 | 0 | 114.1 | K64 Y92 N130 K132 | D62-K64 PolarHBondContact O-N 3.43Å; D62-Y92 PolarHBondContact OD2-OH 3.41Å; D62-N130 PolarHBondContact O-ND2 3.39Å; D62-N130 PolarHBondContact O-OD1 3.22Å; D62-K132 HydrophobicContact CB-CB 3.73Å; D62-K132 HydrophobicContact CB-CG 4.12Å |
| 63 | G | 97.8 | Very high | 98.4 | Very high | 47 Ų | 47 | 26.4 Ų | 26.4 | 49% | 0.485 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 10.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | K61 G65 P121 | K61-G63 PolarHBondContact O-N 3.42Å; K61-G63 VanDerWaalsContact O-N 3.08Å; G63-G65 PolarHBondContact O-N 3.1Å; G63-P121 WeakPolarHBondContact O-CG 3.45Å |
| 64 | K | 98.7 | Very high | 98.4 | Very high | 19 Ų | 19 | 29.7 Ų | 29.7 | 8% | 0.083 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -57.6 | 133.3 | 169.9 | 172.1 | 171.6 | 170.4 | -55.2 | 0 | 110.6 | W59 K61 D62 D70 R118 | W59-K64 VanDerWaalsContact O-CD 3.22Å; W59-K64 WeakPolarHBondContact O-CD 3.34Å; W59-K64 WeakPolarHBondContact O-CG 3.28Å; W59-K64 PolarHBondContact O-NZ 3.38Å; K61-K64 WeakPolarHBondContact O-CB 3.39Å; K61-K64 PolarHBondContact O-N 3.42Å; D62-K64 PolarHBondContact O-N 3.43Å; K64-D70 IonicContact NZ-OD1 2.93Å; K64-D70 IonicContact NZ-OD2 3.9Å; K64-D70 PolarHBondContact NZ-OD2 3.48Å; K64-R118 HydrophobicContact CB-CB 4.4Å; K64-R118 HydrophobicContact CB-CG 4.2Å; K64-R118 HydrophobicContact CD-CB 4.05Å; K64-R118 HydrophobicContact CD-CG 4.32Å; K64-R118 VanDerWaalsContact CD-CZ 3.43Å; K64-R118 HydrophobicContact CG-CB 4.13Å; K64-R118 HydrophobicContact CG-CG 4.42Å |
| 65 | G | 98.6 | Very high | 98.3 | Very high | 13 Ų | 13 | 34.3 Ų | 34.3 | 13% | 0.134 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -78.7 | 168.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G63 P117 | G63-G65 PolarHBondContact O-N 3.1Å; G65-P117 PolarHBondContact N-O 2.96Å; G65-P117 WeakPolarHBondContact O-CB 3.45Å |
| 66 | L | 98.6 | Very high | 98.1 | Very high | 83 Ų | 83 | 43.1 Ų | 43.1 | 44% | 0.435 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -69.6 | 133.9 | 172.7 | -60.8 | -178.1 | 0 | 0 | 0 | 110.5 | W59 D70 V71 P161 Q162 | W59-L66 HydrophobicContact CE3-CD2 3.97Å; W59-L66 HydrophobicContact CH2-CD2 4.32Å; W59-L66 HydrophobicContact CZ3-CD2 3.34Å; L66-D70 HydrophobicContact CD2-CB 4.35Å; L66-V71 HydrophobicContact CD1-CG2 4.31Å; L66-P161 CarbonylContact O-C 3.17Å; L66-P161 WeakPolarHBondContact O-CA 3.36Å; L66-Q162 HydrophobicContact CB-CB 3.82Å; L66-Q162 WeakPolarHBondContact O-CB 3.45Å; L66-Q162 PolarHBondContact O-N 2.85Å |
| 67 | S | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -91.1 | 165.3 | 163.4 | 71.3 | 0 | 0 | 0 | 0 | 110.7 | W69 D70 V71 L160 | S67-W69 PolarHBondContact O-N 3.37Å; S67-W69 PolarHBondContact OG-N 2.91Å; S67-D70 WeakPolarHBondContact CA-OD2 3.29Å; S67-D70 VanDerWaalsContact CB-OD2 3.29Å; S67-D70 WeakPolarHBondContact CB-OD2 3.48Å; S67-D70 PolarHBondContact N-OD2 3.43Å; S67-D70 PolarHBondContact O-N 2.97Å; S67-D70 PolarHBondContact OG-N 3.26Å; S67-D70 PolarHBondContact OG-OD2 3.1Å; S67-V71 PolarHBondContact O-N 3.43Å; S67-L160 CarbonylContact C-O 3.56Å; S67-L160 VanDerWaalsContact CA-O 3.24Å; S67-L160 WeakPolarHBondContact CA-O 3.5Å |
| 68 | I | 98.8 | Very high | 97.7 | Very high | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.3 | -29.3 | 170.4 | 58.3 | 171.4 | 0 | 0 | 0 | 112.6 | F72 W158 L160 Q165 A218 P219 | I68-F72 WeakPolarHBondContact O-CB 3.47Å; I68-F72 PolarHBondContact O-N 3.43Å; I68-W158 WeakPolarHBondContact CD1-O 3.32Å; I68-L160 HydrophobicContact CD1-CB 3.91Å; I68-L160 HydrophobicContact CG1-CB 4.05Å; I68-L160 HydrophobicContact CG2-CB 4.04Å; I68-L160 HydrophobicContact CG2-CD2 4.37Å; I68-L160 PolarHBondContact N-O 3.25Å; I68-Q165 HydrophobicContact CG2-CB 3.62Å; I68-Q165 HydrophobicContact CG2-CG 3.93Å; I68-A218 HydrophobicContact CB-CB 4.09Å; I68-A218 HydrophobicContact CD1-CB 3.9Å; I68-A218 HydrophobicContact CG1-CB 3.85Å; I68-P219 HydrophobicContact CG2-CB 4.47Å |
| 69 | W | 98.7 | Very high | 97.6 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -76.1 | -37.7 | 178.6 | -83.6 | 104.9 | 0 | 0 | 0 | 112.5 | Y53 S67 V71 F72 S73 I79 W158 H217 A218 F464 W466 | Y53-W69 HydrophobicContact CD1-CB 3.78Å; Y53-W69 HydrophobicContact CD1-CG 4.11Å; Y53-W69 HydrophobicContact CD2-CB 3.75Å; Y53-W69 HydrophobicContact CE1-CB 3.56Å; Y53-W69 HydrophobicContact CE1-CE3 4.5Å; Y53-W69 HydrophobicContact CE1-CG 4.18Å; Y53-W69 HydrophobicContact CE2-CB 3.51Å; Y53-W69 HydrophobicContact CG-CB 3.89Å; Y53-W69 HydrophobicContact CG-CG 4.38Å; Y53-W69 VanDerWaalsContact CZ-CB 3.43Å; Y53-W69 PolarHBondContact OH-O 3.12Å; S67-W69 PolarHBondContact O-N 3.37Å; S67-W69 PolarHBondContact OG-N 2.91Å; W69-V71 VanDerWaalsContact C-N 3.32Å; W69-V71 PolarHBondContact O-N 2.94Å; W69-F72 HydrophobicContact CE3-CD1 4.03Å; W69-F72 AromaticContact CZ3-CD1 3.77Å; W69-F72 HydrophobicContact CZ3-CD1 3.77Å; W69-F72 HydrophobicContact CZ3-CE1 4.14Å; W69-F72 PolarHBondContact O-N 3.32Å; W69-S73 WeakPolarHBondContact O-CB 3.38Å; W69-S73 PolarHBondContact O-N 3.02Å; W69-S73 PolarHBondContact O-OG 3.38Å; W69-S73 VanDerWaalsContact O-OG 3.06Å; W69-I79 HydrophobicContact CZ3-CD1 4.1Å; W69-W158 HydrophobicContact CZ2-CE3 4.38Å; W69-W158 PolarHBondContact NE1-O 3.2Å; W69-H217 HydrophobicContact CH2-CB 3.9Å; W69-H217 AromaticContact CH2-CD2 3.94Å; W69-H217 AromaticContact CH2-CG 3.82Å; W69-H217 HydrophobicContact CZ2-CB 3.74Å; W69-H217 AromaticContact CZ2-CG 3.83Å; W69-A218 HydrophobicContact CD2-CB 3.66Å; W69-A218 HydrophobicContact CE3-CB 4.14Å; W69-A218 HydrophobicContact CG-CB 3.9Å; W69-A218 HydrophobicContact CZ2-CB 4.2Å; W69-F464 HydrophobicContact CE3-CE1 4.4Å; W69-W466 AromaticContact CD1-CZ3 3.69Å; W69-W466 AromaticContact CD2-CE3 3.7Å; W69-W466 HydrophobicContact CD2-CE3 3.7Å; W69-W466 AromaticContact CD2-CZ3 3.86Å; W69-W466 HydrophobicContact CD2-CZ3 3.86Å; W69-W466 AromaticContact CE2-CE3 3.28Å; W69-W466 AromaticContact CE2-CZ3 3.47Å; W69-W466 VanDerWaalsContact CE2-CZ3 3.47Å; W69-W466 HydrophobicContact CE3-CE3 4.08Å; W69-W466 HydrophobicContact CG-CE3 4.34Å; W69-W466 HydrophobicContact CG-CZ3 4.01Å; W69-W466 HydrophobicContact CH2-CB 3.66Å; W69-W466 HydrophobicContact CH2-CD2 4.24Å; W69-W466 AromaticContact CH2-CE3 3.77Å; W69-W466 HydrophobicContact CH2-CE3 3.77Å; W69-W466 HydrophobicContact CH2-CG 4.26Å; W69-W466 HydrophobicContact CZ2-CB 4.19Å; W69-W466 AromaticContact CZ2-CD2 3.92Å; W69-W466 HydrophobicContact CZ2-CD2 3.92Å; W69-W466 AromaticContact CZ2-CE3 3.33Å; W69-W466 HydrophobicContact CZ2-CE3 3.33Å; W69-W466 HydrophobicContact CZ2-CG 4.31Å; W69-W466 AromaticContact CZ2-CZ3 3.97Å; W69-W466 HydrophobicContact CZ2-CZ3 3.97Å; W69-W466 HydrophobicContact CZ3-CB 4.21Å; W69-W466 HydrophobicContact CZ3-CE3 4.11Å; W69-W466 AromaticContact NE1-CE3 3.69Å; W69-W466 AromaticContact NE1-CZ3 3.34Å; W69-W466 VanDerWaalsContact NE1-CZ3 3.34Å |
| 70 | D | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -52.2 | -54.6 | 171.1 | -62.2 | -55.6 | 0 | 0 | 0 | 109.5 | Y53 W59 K64 L66 S67 F72 S73 H74 | Y53-D70 WeakPolarHBondContact CE2-OD1 3.33Å; W59-D70 WeakPolarHBondContact CB-OD1 3.49Å; W59-D70 HydrophobicContact CE3-CB 3.92Å; W59-D70 HydrophobicContact CZ3-CB 4.2Å; K64-D70 IonicContact NZ-OD1 2.93Å; K64-D70 IonicContact NZ-OD2 3.9Å; K64-D70 PolarHBondContact NZ-OD2 3.48Å; L66-D70 HydrophobicContact CD2-CB 4.35Å; S67-D70 WeakPolarHBondContact CA-OD2 3.29Å; S67-D70 VanDerWaalsContact CB-OD2 3.29Å; S67-D70 WeakPolarHBondContact CB-OD2 3.48Å; S67-D70 PolarHBondContact N-OD2 3.43Å; S67-D70 PolarHBondContact O-N 2.97Å; S67-D70 PolarHBondContact OG-N 3.26Å; S67-D70 PolarHBondContact OG-OD2 3.1Å; D70-F72 VanDerWaalsContact C-N 3.34Å; D70-F72 PolarHBondContact O-N 3.33Å; D70-S73 PolarHBondContact O-OG 3.21Å; D70-H74 PolarHBondContact O-N 3.15Å; D70-H74 PolarHBondContact O-ND1 3.13Å |
| 71 | V | 98.4 | Very high | 97 | Very high | 38 Ų | 38 | 53.7 Ų | 53.7 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66 | -34 | 180 | 176.7 | 0 | 0 | 0 | 0 | 113 | L66 S67 W69 K75 Q162 | L66-V71 HydrophobicContact CD1-CG2 4.31Å; S67-V71 PolarHBondContact O-N 3.43Å; W69-V71 VanDerWaalsContact C-N 3.32Å; W69-V71 PolarHBondContact O-N 2.94Å; V71-K75 WeakPolarHBondContact O-CE 3.39Å; V71-K75 WeakPolarHBondContact O-CG 3.4Å; V71-Q162 HydrophobicContact CG2-CB 4.32Å; V71-Q162 HydrophobicContact CG2-CG 3.72Å |
| 72 | F | 98.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 53.7 Ų | 53.7 | 1% | 0.013 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -73.5 | -45.4 | -179.5 | -172.7 | -100 | 0 | 0 | 0 | 111.9 | I68 W69 D70 H74 K75 K78 I79 E216 A218 | I68-F72 WeakPolarHBondContact O-CB 3.47Å; I68-F72 PolarHBondContact O-N 3.43Å; W69-F72 HydrophobicContact CE3-CD1 4.03Å; W69-F72 AromaticContact CZ3-CD1 3.77Å; W69-F72 HydrophobicContact CZ3-CD1 3.77Å; W69-F72 HydrophobicContact CZ3-CE1 4.14Å; W69-F72 PolarHBondContact O-N 3.32Å; D70-F72 VanDerWaalsContact C-N 3.34Å; D70-F72 PolarHBondContact O-N 3.33Å; F72-H74 PolarHBondContact O-N 2.93Å; F72-K75 WeakPolarHBondContact O-CB 3.5Å; F72-K75 PolarHBondContact O-N 2.76Å; F72-K78 HydrophobicContact CD1-CB 4.29Å; F72-K78 HydrophobicContact CE1-CB 3.91Å; F72-K78 HydrophobicContact CE2-CB 4.43Å; F72-K78 HydrophobicContact CE2-CD 3.93Å; F72-K78 HydrophobicContact CE2-CG 4.16Å; F72-K78 HydrophobicContact CZ-CB 3.99Å; F72-K78 HydrophobicContact CZ-CD 3.88Å; F72-K78 HydrophobicContact CZ-CG 4.16Å; F72-I79 HydrophobicContact CD1-CD1 3.89Å; F72-I79 HydrophobicContact CE1-CD1 3.89Å; F72-E216 VanDerWaalsContact CZ-O 3.31Å; F72-E216 WeakPolarHBondContact CZ-O 3.44Å; F72-A218 HydrophobicContact CB-CB 3.69Å; F72-A218 HydrophobicContact CD1-CB 4.31Å; F72-A218 HydrophobicContact CD2-CB 4.39Å; F72-A218 HydrophobicContact CG-CB 3.9Å |
| 73 | S | 97.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.014 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.6 | -31 | -178.6 | 64.1 | 0 | 0 | 0 | 0 | 113.2 | Y53 W69 D70 K75 | Y53-S73 PolarHBondContact OH-OG 3.06Å; W69-S73 WeakPolarHBondContact O-CB 3.38Å; W69-S73 PolarHBondContact O-N 3.02Å; W69-S73 PolarHBondContact O-OG 3.38Å; W69-S73 VanDerWaalsContact O-OG 3.06Å; D70-S73 PolarHBondContact O-OG 3.21Å; S73-K75 PolarHBondContact O-N 2.73Å |
| 74 | H | 97.9 | Very high | 96.7 | Very high | 82 Ų | 82 | 50.8 Ų | 50.8 | 38% | 0.38 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -6.2 | 175.1 | -66.5 | 133.4 | 0 | 0 | 0 | 113.5 | W59 D70 F72 D86 | W59-H74 AromaticContact CH2-CE1 3.67Å; W59-H74 AromaticContact CZ2-CE1 3.9Å; W59-H74 AromaticContact CZ3-CE1 3.71Å; D70-H74 PolarHBondContact O-N 3.15Å; D70-H74 PolarHBondContact O-ND1 3.13Å; F72-H74 PolarHBondContact O-N 2.93Å; H74-D86 IonicContact CD2-OD2 2.85Å; H74-D86 IonicContact CE1-OD1 3.88Å; H74-D86 PolarHBondContact CE1-OD1 2.88Å; H74-D86 VanDerWaalsContact CE1-OD1 3.24Å; H74-D86 IonicContact CE1-OD2 2.69Å; H74-D86 VanDerWaalsContact NE2-CG 3.3Å; H74-D86 IonicContact NE2-OD1 2.74Å; H74-D86 PolarHBondContact NE2-OD1 3.39Å; H74-D86 IonicContact NE2-OD2 3.88Å; H74-D86 PolarHBondContact NE2-OD2 3.34Å |
| 75 | K | 96.8 | Very high | 96.6 | Very high | 96 Ų | 96 | 50 Ų | 50 | 42% | 0.417 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -84 | 123.8 | 173 | -67.8 | 169.7 | -171.3 | 173.9 | 0 | 110.4 | V71 F72 S73 G77 K78 | V71-K75 WeakPolarHBondContact O-CE 3.39Å; V71-K75 WeakPolarHBondContact O-CG 3.4Å; F72-K75 WeakPolarHBondContact O-CB 3.5Å; F72-K75 PolarHBondContact O-N 2.76Å; S73-K75 PolarHBondContact O-N 2.73Å; K75-G77 PolarHBondContact O-N 2.93Å; K75-K78 HydrophobicContact CB-CB 4.37Å; K75-K78 HydrophobicContact CB-CG 3.64Å; K75-K78 WeakPolarHBondContact O-CB 3.14Å; K75-K78 PolarHBondContact O-N 2.97Å |
| 76 | K | 95.1 | Very high | 96.6 | Very high | 194 Ų | 194 | 51.3 Ų | 51.3 | 84% | 0.843 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 136.8 | 176.3 | -65.8 | -172.8 | 178 | -176 | 0 | 112 | K78 N82 | K76-K78 VanDerWaalsContact C-N 3.29Å; K76-K78 PolarHBondContact O-N 3.08Å; K76-N82 WeakPolarHBondContact CA-OD1 3.34Å |
| 77 | G | 94.3 | Very high | 96.5 | Very high | 68 Ų | 68 | 49.4 Ų | 49.4 | 70% | 0.701 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 10.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | K75 N82 | K75-G77 PolarHBondContact O-N 2.93Å; G77-N82 PolarHBondContact N-OD1 3.11Å |
| 78 | K | 93.9 | Very high | 96.3 | Very high | 74 Ų | 74 | 49.4 Ų | 49.4 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -92.5 | -31.3 | 175.9 | -70.2 | -53.4 | -164.7 | 169.6 | 0 | 114.3 | F72 K75 K76 | F72-K78 HydrophobicContact CD1-CB 4.29Å; F72-K78 HydrophobicContact CE1-CB 3.91Å; F72-K78 HydrophobicContact CE2-CB 4.43Å; F72-K78 HydrophobicContact CE2-CD 3.93Å; F72-K78 HydrophobicContact CE2-CG 4.16Å; F72-K78 HydrophobicContact CZ-CB 3.99Å; F72-K78 HydrophobicContact CZ-CD 3.88Å; F72-K78 HydrophobicContact CZ-CG 4.16Å; K75-K78 HydrophobicContact CB-CB 4.37Å; K75-K78 HydrophobicContact CB-CG 3.64Å; K75-K78 WeakPolarHBondContact O-CB 3.14Å; K75-K78 PolarHBondContact O-N 2.97Å; K76-K78 VanDerWaalsContact C-N 3.29Å; K76-K78 PolarHBondContact O-N 3.08Å |
| 79 | I | 95.7 | Very high | 96.3 | Very high | 7 Ų | 7 | 49.2 Ų | 49.2 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -117.6 | 143.5 | 179.9 | -48.1 | -60.2 | 0 | 0 | 0 | 107.7 | W69 F72 L81 N82 D83 F464 D467 | W69-I79 HydrophobicContact CZ3-CD1 4.1Å; F72-I79 HydrophobicContact CD1-CD1 3.89Å; F72-I79 HydrophobicContact CE1-CD1 3.89Å; I79-L81 PolarHBondContact O-N 3.09Å; I79-N82 WeakPolarHBondContact O-CA 3.18Å; I79-N82 PolarHBondContact O-N 2.78Å; I79-D83 HydrophobicContact CG2-CB 4.1Å; I79-F464 HydrophobicContact CD1-CZ 4.19Å; I79-F464 HydrophobicContact CG1-CZ 4.24Å; I79-F464 HydrophobicContact CG2-CE2 3.98Å; I79-F464 HydrophobicContact CG2-CZ 3.85Å; I79-D467 WeakPolarHBondContact CA-O 3.22Å |
| 80 | Q | 91.3 | Very high | 96.2 | Very high | 99 Ų | 99 | 51.3 Ų | 51.3 | 46% | 0.463 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -50.6 | 131.4 | 169.9 | -173.2 | 61.6 | -2.8 | 0 | 0 | 109.9 | N82 D83 D467 | Q80-N82 PolarHBondContact O-N 3.05Å; Q80-D83 PolarHBondContact O-N 3.4Å; Q80-D467 PolarHBondContact N-O 3.19Å |
| 81 | L | 91.5 | Very high | 96.2 | Very high | 127 Ų | 127 | 51.5 Ų | 51.5 | 67% | 0.665 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | 57.6 | 9.3 | -173.8 | -55.6 | 177.4 | 0 | 0 | 0 | 116.3 | I79 D83 | I79-L81 PolarHBondContact O-N 3.09Å; L81-D83 PolarHBondContact O-N 3.01Å |
| 82 | N | 95.2 | Very high | 96.2 | Very high | 85 Ų | 85 | 50.9 Ų | 50.9 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | 57.2 | 32.3 | -170.4 | -49.2 | -79.7 | 0 | 0 | 0 | 113.3 | K76 G77 I79 Q80 | K76-N82 WeakPolarHBondContact CA-OD1 3.34Å; G77-N82 PolarHBondContact N-OD1 3.11Å; I79-N82 WeakPolarHBondContact O-CA 3.18Å; I79-N82 PolarHBondContact O-N 2.78Å; Q80-N82 PolarHBondContact O-N 3.05Å |
| 83 | D | 96.3 | Very high | 96.2 | Very high | 38 Ų | 38 | 57 Ų | 57 | 20% | 0.203 | 29% | 0.29 | C | S | . | . | trans | -62 | 155.8 | 173.9 | -72.2 | -28 | 0 | 0 | 0 | 111.6 | I79 Q80 L81 F464 Y470 | I79-D83 HydrophobicContact CG2-CB 4.1Å; Q80-D83 PolarHBondContact O-N 3.4Å; L81-D83 PolarHBondContact O-N 3.01Å; D83-F464 HydrophobicContact CB-CE2 4.02Å; D83-Y470 HydrophobicContact CB-CD2 3.83Å; D83-Y470 HydrophobicContact CB-CE2 3.95Å; D83-Y470 VanDerWaalsContact CG-CD2 3.5Å; D83-Y470 WeakPolarHBondContact OD2-CD2 3.43Å; D83-Y470 PolarHBondContact OD2-N 3.18Å | ||
| 84 | T | 97.9 | Very high | 96.2 | Very high | 32 Ų | 32 | 58.7 Ų | 58.7 | 20% | 0.196 | 30% | 0.297 | C | S | . | . | trans | -130.1 | 155.7 | 176.1 | 72.3 | 0 | 0 | 0 | 0 | 111.5 | D86 Y470 | T84-D86 PolarHBondContact O-N 3.44Å; T84-D86 WeakPolarHBondContact OG1-CB 3Å; T84-D86 PolarHBondContact OG1-N 2.92Å; T84-D86 PolarHBondContact OG1-OD2 3.34Å; T84-Y470 PolarHBondContact O-OH 3.19Å | ||
| 85 | G | 97.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 11.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y53 S87 S88 | Y53-G85 PolarHBondContact OH-N 3.01Å; G85-S87 VanDerWaalsContact C-N 3.26Å; G85-S87 PolarHBondContact O-N 3.42Å; G85-S88 WeakPolarHBondContact CA-OG 3.46Å; G85-S88 PolarHBondContact O-OG 3.28Å; G85-S88 VanDerWaalsContact O-OG 3.04Å |
| 86 | D | 98.1 | Very high | 96.3 | Very high | 42 Ų | 42 | 57.5 Ų | 57.5 | 23% | 0.225 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -38.7 | -171.1 | -67.2 | -9 | 0 | 0 | 0 | 112.6 | G57 A58 W59 H74 T84 | G57-D86 CarbonylContact C-O 3.6Å; G57-D86 WeakPolarHBondContact CA-O 3.41Å; A58-D86 PolarHBondContact N-O 3.49Å; W59-D86 VanDerWaalsContact CD1-CA 3.42Å; W59-D86 HydrophobicContact CG-CB 4.12Å; H74-D86 IonicContact CD2-OD2 2.85Å; H74-D86 IonicContact CE1-OD1 3.88Å; H74-D86 PolarHBondContact CE1-OD1 2.88Å; H74-D86 VanDerWaalsContact CE1-OD1 3.24Å; H74-D86 IonicContact CE1-OD2 2.69Å; H74-D86 VanDerWaalsContact NE2-CG 3.3Å; H74-D86 IonicContact NE2-OD1 2.74Å; H74-D86 PolarHBondContact NE2-OD1 3.39Å; H74-D86 IonicContact NE2-OD2 3.88Å; H74-D86 PolarHBondContact NE2-OD2 3.34Å; T84-D86 PolarHBondContact O-N 3.44Å; T84-D86 WeakPolarHBondContact OG1-CB 3Å; T84-D86 PolarHBondContact OG1-N 2.92Å; T84-D86 PolarHBondContact OG1-OD2 3.34Å |
| 87 | S | 95.4 | Very high | 96.4 | Very high | 43 Ų | 43 | 51.8 Ų | 51.8 | 30% | 0.301 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -31.7 | 178.9 | 68.2 | 0 | 0 | 0 | 0 | 112.9 | G57 G85 C89 E90 K486 | G57-S87 WeakPolarHBondContact CA-O 3.22Å; G85-S87 VanDerWaalsContact C-N 3.26Å; G85-S87 PolarHBondContact O-N 3.42Å; S87-C89 PolarHBondContact O-N 3.27Å; S87-E90 WeakPolarHBondContact O-CG 3.21Å; S87-E90 PolarHBondContact O-N 2.04Å; S87-K486 WeakPolarHBondContact OG-CE 3.29Å; S87-K486 PolarHBondContact OG-NZ 3.3Å |
| 88 | S | 95.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 43.8 | -120.7 | 177.8 | -73.4 | 0 | 0 | 0 | 0 | 112.2 | Y53 Q54 G85 Y470 F481 K486 | Y53-S88 PolarHBondContact O-OG 3.34Å; Q54-S88 VanDerWaalsContact O-CB 3.3Å; Q54-S88 WeakPolarHBondContact O-CB 3.38Å; Q54-S88 PolarHBondContact O-OG 3.04Å; G85-S88 WeakPolarHBondContact CA-OG 3.46Å; G85-S88 PolarHBondContact O-OG 3.28Å; G85-S88 VanDerWaalsContact O-OG 3.04Å; S88-Y470 WeakPolarHBondContact CA-OH 3.45Å; S88-Y470 PolarHBondContact N-OH 2.87Å; S88-F481 WeakPolarHBondContact O-CD1 3.31Å; S88-F481 WeakPolarHBondContact O-CE1 3.41Å; S88-K486 WeakPolarHBondContact O-CD 3.43Å; S88-K486 WeakPolarHBondContact O-CE 3.5Å; S88-K486 PolarHBondContact O-NZ 3.45Å |
| 89 | C | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -3.9 | 175.9 | -51.7 | 0 | 0 | 0 | 0 | 112.9 | T55 S87 S91 L461 D462 R488 | T55-C89 CarbonylContact O-C 3.53Å; T55-C89 WeakPolarHBondContact O-CA 3.26Å; T55-C89 VanDerWaalsContact O-CB 3.24Å; T55-C89 WeakPolarHBondContact O-CB 3.45Å; T55-C89 PolarHBondContact O-N 2.72Å; S87-C89 PolarHBondContact O-N 3.27Å; C89-S91 PolarHBondContact O-N 3.34Å; C89-L461 HydrophobicContact CB-CD1 3.91Å; C89-D462 PolarHBondContact SG-O 2.97Å; C89-R488 PolarHBondContact O-NH1 2.93Å; C89-R488 PolarHBondContact O-NH2 2.9Å |
| 90 | E | 97.4 | Very high | 97 | Very high | 46 Ų | 46 | 48.7 Ų | 48.7 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | trans | 55.8 | 30.4 | -168.1 | -71.3 | 175.4 | 171.7 | 0 | 0 | 113.8 | T55 E56 S87 Y92 Y93 K94 K486 | T55-E90 PolarHBondContact O-N 3.24Å; E56-E90 CarbonylContact O-C 3.42Å; E56-E90 VanDerWaalsContact O-CA 3.31Å; E56-E90 WeakPolarHBondContact O-CA 3.44Å; S87-E90 WeakPolarHBondContact O-CG 3.21Å; S87-E90 PolarHBondContact O-N 2.04Å; E90-Y92 PolarHBondContact O-N 3.35Å; E90-Y92 VanDerWaalsContact O-N 3.07Å; E90-Y93 HydrophobicContact CB-CD2 4.25Å; E90-Y93 HydrophobicContact CG-CD2 4.35Å; E90-Y93 PolarHBondContact O-N 2.88Å; E90-K94 HydrophobicContact CB-CD 4.28Å; E90-K94 WeakPolarHBondContact O-CB 3.42Å; E90-K94 PolarHBondContact O-N 3.48Å; E90-K94 VanDerWaalsContact O-N 3.15Å; E90-K486 HydrophobicContact CB-CD 3.99Å; E90-K486 HydrophobicContact CG-CD 3.66Å | ||
| 91 | S | 98.3 | Very high | 97.3 | Very high | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.028 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -16.3 | 175.2 | -65.7 | 0 | 0 | 0 | 0 | 112.8 | T55 E56 C89 Y93 K94 D98 Y136 | T55-S91 WeakPolarHBondContact O-CB 3.32Å; T55-S91 PolarHBondContact O-N 3.25Å; T55-S91 VanDerWaalsContact O-N 3.12Å; E56-S91 PolarHBondContact O-N 3.27Å; C89-S91 PolarHBondContact O-N 3.34Å; S91-Y93 VanDerWaalsContact C-N 3.25Å; S91-Y93 PolarHBondContact O-N 3.05Å; S91-K94 PolarHBondContact O-N 3.3Å; S91-D98 VanDerWaalsContact CB-OD2 3.24Å; S91-D98 WeakPolarHBondContact CB-OD2 3.28Å; S91-D98 PolarHBondContact OG-OD2 2.7Å; S91-Y136 PolarHBondContact O-OH 3.01Å; S91-Y136 VanDerWaalsContact O-OH 3.06Å |
| 92 | Y | 98.6 | Very high | 97.6 | Very high | 26 Ų | 26 | 39 Ų | 39 | 10% | 0.102 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -35.6 | 168.5 | -173.8 | -103.4 | 0 | 0 | 0 | 112.7 | E56 A58 D62 E90 Y136 | E56-Y92 WeakPolarHBondContact O-CB 3.1Å; E56-Y92 PolarHBondContact O-N 3.21Å; E56-Y92 VanDerWaalsContact O-N 3.12Å; A58-Y92 HydrophobicContact CB-CD1 3.39Å; A58-Y92 HydrophobicContact CB-CD2 4.41Å; A58-Y92 HydrophobicContact CB-CE1 4.09Å; A58-Y92 HydrophobicContact CB-CG 3.57Å; D62-Y92 PolarHBondContact OD2-OH 3.41Å; E90-Y92 PolarHBondContact O-N 3.35Å; E90-Y92 VanDerWaalsContact O-N 3.07Å; Y92-Y136 VanDerWaalsContact CA-CE2 3.47Å; Y92-Y136 HydrophobicContact CD2-CD1 4.05Å; Y92-Y136 AromaticContact CD2-CD2 3.57Å; Y92-Y136 HydrophobicContact CD2-CD2 3.57Å; Y92-Y136 HydrophobicContact CD2-CE1 4.21Å; Y92-Y136 AromaticContact CD2-CE2 3.78Å; Y92-Y136 HydrophobicContact CD2-CE2 3.78Å; Y92-Y136 AromaticContact CD2-CG 3.72Å; Y92-Y136 HydrophobicContact CD2-CG 3.72Å; Y92-Y136 HydrophobicContact CE2-CD1 4.23Å; Y92-Y136 AromaticContact CE2-CD2 3.76Å; Y92-Y136 HydrophobicContact CE2-CD2 3.76Å; Y92-Y136 HydrophobicContact CE2-CE2 4.44Å; Y92-Y136 AromaticContact CE2-CG 3.65Å; Y92-Y136 HydrophobicContact CE2-CG 3.65Å; Y92-Y136 HydrophobicContact CG-CD2 4.37Å; Y92-Y136 HydrophobicContact CG-CE2 4.33Å; Y92-Y136 WeakPolarHBondContact O-CE2 3.43Å |
| 93 | Y | 98.3 | Very high | 97.8 | Very high | 131 Ų | 131 | 40.1 Ų | 40.1 | 51% | 0.514 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -10.5 | -179 | -57.2 | -63.8 | 0 | 0 | 0 | 113.5 | A58 K61 E90 S91 | A58-Y93 HydrophobicContact CB-CE2 3.93Å; K61-Y93 WeakPolarHBondContact CG-OH 3.41Å; E90-Y93 HydrophobicContact CB-CD2 4.25Å; E90-Y93 HydrophobicContact CG-CD2 4.35Å; E90-Y93 PolarHBondContact O-N 2.88Å; S91-Y93 VanDerWaalsContact C-N 3.25Å; S91-Y93 PolarHBondContact O-N 3.05Å |
| 94 | K | 97.9 | Very high | 97.7 | Very high | 37 Ų | 37 | 41.9 Ų | 41.9 | 16% | 0.161 | 21% | 0.206 | C | C | . | . | trans | -121 | 27.6 | -164.8 | -69.9 | -178.7 | 163.5 | -81.8 | 0 | 114.3 | E90 S91 K96 D97 D98 N485 R488 | E90-K94 HydrophobicContact CB-CD 4.28Å; E90-K94 WeakPolarHBondContact O-CB 3.42Å; E90-K94 PolarHBondContact O-N 3.48Å; E90-K94 VanDerWaalsContact O-N 3.15Å; S91-K94 PolarHBondContact O-N 3.3Å; K94-K96 VanDerWaalsContact C-N 3.26Å; K94-K96 PolarHBondContact O-N 2.94Å; K94-D97 HydrophobicContact CB-CB 4.18Å; K94-D97 IonicContact NZ-OD2 3.72Å; K94-D97 PolarHBondContact NZ-OD2 3.08Å; K94-D97 WeakPolarHBondContact O-CB 3.2Å; K94-D97 PolarHBondContact O-N 3.16Å; K94-D98 PolarHBondContact O-N 3.23Å; K94-N485 WeakPolarHBondContact CE-O 3.47Å; K94-N485 PolarHBondContact NZ-O 3.21Å; K94-R488 VanDerWaalsContact CD-CZ 3.49Å | ||
| 95 | I | 98.2 | Very high | 97.6 | Very high | 15 Ų | 15 | 40.3 Ų | 40.3 | 8% | 0.077 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -47.1 | -50.4 | 177.1 | -65.9 | 165.2 | 0 | 0 | 0 | 111.1 | D97 D98 I99 Y136 E139 L140 H143 | I95-D97 PolarHBondContact O-N 3.33Å; I95-D98 PolarHBondContact O-N 3.22Å; I95-I99 HydrophobicContact CG2-CG1 4.02Å; I95-I99 WeakPolarHBondContact O-CB 3.34Å; I95-I99 WeakPolarHBondContact O-CG1 3.35Å; I95-I99 PolarHBondContact O-N 3.02Å; I95-Y136 HydrophobicContact CD1-CD2 3.79Å; I95-Y136 HydrophobicContact CD1-CE2 3.54Å; I95-Y136 HydrophobicContact CG1-CE2 3.77Å; I95-E139 HydrophobicContact CD1-CB 4.28Å; I95-L140 HydrophobicContact CD1-CB 4.26Å; I95-L140 HydrophobicContact CG1-CD1 4.44Å; I95-L140 HydrophobicContact CG2-CD1 3.97Å; I95-H143 HydrophobicContact CG2-CB 4.02Å |
| 96 | K | 98.1 | Very high | 97.6 | Very high | 139 Ų | 139 | 47.2 Ų | 47.2 | 60% | 0.604 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -65.6 | -36.2 | -176.7 | -65.2 | -178.2 | -178.5 | 177.6 | 0 | 113.4 | K94 S100 H143 | K94-K96 VanDerWaalsContact C-N 3.26Å; K94-K96 PolarHBondContact O-N 2.94Å; K96-S100 WeakPolarHBondContact O-CB 3.46Å; K96-S100 PolarHBondContact O-N 3.46Å; K96-S100 VanDerWaalsContact O-N 3.09Å; K96-S100 PolarHBondContact O-OG 2.92Å; K96-H143 WeakPolarHBondContact CE-NE2 3.44Å |
| 97 | D | 97.9 | Very high | 97.6 | Very high | 74 Ų | 74 | 45.7 Ų | 45.7 | 40% | 0.396 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.6 | -52.5 | 175.9 | -62.4 | -9.8 | 0 | 0 | 0 | 108.5 | K94 I95 I99 S100 L101 | K94-D97 HydrophobicContact CB-CB 4.18Å; K94-D97 IonicContact NZ-OD2 3.72Å; K94-D97 PolarHBondContact NZ-OD2 3.08Å; K94-D97 WeakPolarHBondContact O-CB 3.2Å; K94-D97 PolarHBondContact O-N 3.16Å; I95-D97 PolarHBondContact O-N 3.33Å; D97-I99 PolarHBondContact O-N 3.01Å; D97-S100 WeakPolarHBondContact O-CB 3.36Å; D97-S100 PolarHBondContact O-N 3.28Å; D97-S100 VanDerWaalsContact O-N 3.08Å; D97-L101 WeakPolarHBondContact O-CG 3.36Å; D97-L101 PolarHBondContact O-N 3.24Å |
| 98 | D | 98.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.1 | -40.3 | -176.7 | -63.8 | -14.2 | 0 | 0 | 0 | 111.6 | S91 K94 I95 S100 L101 M102 R488 | S91-D98 VanDerWaalsContact CB-OD2 3.24Å; S91-D98 WeakPolarHBondContact CB-OD2 3.28Å; S91-D98 PolarHBondContact OG-OD2 2.7Å; K94-D98 PolarHBondContact O-N 3.23Å; I95-D98 PolarHBondContact O-N 3.22Å; D98-S100 VanDerWaalsContact C-N 3.3Å; D98-S100 PolarHBondContact O-N 3.44Å; D98-L101 WeakPolarHBondContact O-CB 3.29Å; D98-L101 PolarHBondContact O-N 2.98Å; D98-M102 HydrophobicContact CB-CE 4.19Å; D98-M102 WeakPolarHBondContact O-CG 3.06Å; D98-M102 PolarHBondContact O-N 2.97Å; D98-M102 VanDerWaalsContact O-N 3.12Å; D98-R488 IonicContact OD1-CZ 3.96Å; D98-R488 IonicContact OD1-NE 2.67Å; D98-R488 PolarHBondContact OD1-NE 2.72Å; D98-R488 IonicContact OD1-NH2 2.69Å; D98-R488 PolarHBondContact OD1-NH2 2.71Å; D98-R488 IonicContact OD2-NH2 3.74Å |
| 99 | I | 98.5 | Very high | 97.9 | Very high | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.8 | -38.5 | 173.7 | -67.3 | -73.2 | 0 | 0 | 0 | 111.5 | I95 D97 L101 M102 K103 H143 L144 N147 | I95-I99 HydrophobicContact CG2-CG1 4.02Å; I95-I99 WeakPolarHBondContact O-CB 3.34Å; I95-I99 WeakPolarHBondContact O-CG1 3.35Å; I95-I99 PolarHBondContact O-N 3.02Å; D97-I99 PolarHBondContact O-N 3.01Å; I99-L101 VanDerWaalsContact C-N 3.3Å; I99-L101 PolarHBondContact O-N 2.99Å; I99-M102 HydrophobicContact CD1-SD 4.09Å; I99-M102 PolarHBondContact O-N 2.99Å; I99-K103 HydrophobicContact CG2-CD 4.2Å; I99-K103 HydrophobicContact CG2-CG 4.49Å; I99-K103 WeakPolarHBondContact O-CG 3.06Å; I99-K103 PolarHBondContact O-N 2.7Å; I99-H143 HydrophobicContact CD1-CB 4.35Å; I99-H143 HydrophobicContact CG1-CB 4.15Å; I99-L144 HydrophobicContact CD1-CB 4.38Å; I99-L144 HydrophobicContact CD1-CD2 3.36Å; I99-L144 HydrophobicContact CD1-CG 3.67Å; I99-N147 HydrophobicContact CG2-CB 4.16Å |
| 100 | S | 98.4 | Very high | 98 | Very high | 70 Ų | 70 | 47.2 Ų | 47.2 | 49% | 0.49 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63 | -38.8 | 178.2 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | K96 D97 D98 K103 E104 | K96-S100 WeakPolarHBondContact O-CB 3.46Å; K96-S100 PolarHBondContact O-N 3.46Å; K96-S100 VanDerWaalsContact O-N 3.09Å; K96-S100 PolarHBondContact O-OG 2.92Å; D97-S100 WeakPolarHBondContact O-CB 3.36Å; D97-S100 PolarHBondContact O-N 3.28Å; D97-S100 VanDerWaalsContact O-N 3.08Å; D98-S100 VanDerWaalsContact C-N 3.3Å; D98-S100 PolarHBondContact O-N 3.44Å; S100-K103 PolarHBondContact O-N 2.73Å; S100-E104 PolarHBondContact O-N 2.89Å |
| 101 | L | 98.3 | Very high | 98.1 | Very high | 22 Ų | 22 | 45 Ų | 45 | 12% | 0.115 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.7 | -45.7 | 174.3 | -52.4 | -179.7 | 0 | 0 | 0 | 111.4 | D97 D98 I99 K103 E104 I105 L461 Y477 R488 | D97-L101 WeakPolarHBondContact O-CG 3.36Å; D97-L101 PolarHBondContact O-N 3.24Å; D98-L101 WeakPolarHBondContact O-CB 3.29Å; D98-L101 PolarHBondContact O-N 2.98Å; I99-L101 VanDerWaalsContact C-N 3.3Å; I99-L101 PolarHBondContact O-N 2.99Å; L101-K103 VanDerWaalsContact C-N 3.29Å; L101-K103 PolarHBondContact O-N 3.08Å; L101-E104 WeakPolarHBondContact O-CB 3.34Å; L101-E104 PolarHBondContact O-N 3.44Å; L101-E104 VanDerWaalsContact O-N 3.11Å; L101-I105 PolarHBondContact O-N 3.35Å; L101-I105 VanDerWaalsContact O-N 3.09Å; L101-L461 HydrophobicContact CD1-CD2 3.84Å; L101-Y477 HydrophobicContact CB-CD2 4.44Å; L101-Y477 HydrophobicContact CB-CE1 4.15Å; L101-Y477 HydrophobicContact CB-CE2 3.93Å; L101-Y477 HydrophobicContact CD1-CD1 3.96Å; L101-Y477 HydrophobicContact CD1-CD2 4.3Å; L101-Y477 HydrophobicContact CD1-CE1 4.23Å; L101-Y477 HydrophobicContact CD1-CG 4Å; L101-Y477 HydrophobicContact CD2-CD1 4.04Å; L101-Y477 HydrophobicContact CD2-CE1 3.63Å; L101-Y477 HydrophobicContact CG-CD1 4.41Å; L101-Y477 HydrophobicContact CG-CE1 4.19Å; L101-Y477 PolarHBondContact O-OH 2.79Å; L101-R488 HydrophobicContact CD1-CB 3.68Å; L101-R488 HydrophobicContact CD1-CG 3.81Å |
| 102 | M | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.4 | -38.3 | 178.8 | -61.6 | 173.6 | -156.3 | 0 | 0 | 112.2 | D98 I99 I105 R106 L107 Y110 L144 I149 L460 | D98-M102 HydrophobicContact CB-CE 4.19Å; D98-M102 WeakPolarHBondContact O-CG 3.06Å; D98-M102 PolarHBondContact O-N 2.97Å; D98-M102 VanDerWaalsContact O-N 3.12Å; I99-M102 HydrophobicContact CD1-SD 4.09Å; I99-M102 PolarHBondContact O-N 2.99Å; M102-I105 WeakPolarHBondContact O-CG2 3.06Å; M102-R106 PolarHBondContact O-N 3.26Å; M102-L107 HydrophobicContact CB-CD1 3.93Å; M102-L107 HydrophobicContact CB-CG 4.29Å; M102-L107 HydrophobicContact CG-CD1 3.85Å; M102-L107 PolarHBondContact O-N 2.87Å; M102-Y110 HydrophobicContact CE-CD1 3.54Å; M102-Y110 HydrophobicContact CE-CD2 3.63Å; M102-Y110 HydrophobicContact CE-CE1 3.49Å; M102-Y110 VanDerWaalsContact CE-CE1 3.49Å; M102-Y110 HydrophobicContact CE-CE2 3.64Å; M102-Y110 HydrophobicContact CE-CG 3.61Å; M102-Y110 HydrophobicContact SD-CD1 3.98Å; M102-Y110 HydrophobicContact SD-CD2 3.85Å; M102-Y110 HydrophobicContact SD-CE2 4.45Å; M102-Y110 HydrophobicContact SD-CG 3.61Å; M102-L144 HydrophobicContact SD-CD2 3.76Å; M102-I149 HydrophobicContact CB-CD1 3.6Å; M102-I149 HydrophobicContact SD-CD1 4.25Å; M102-L460 HydrophobicContact CE-CD2 3.45Å; M102-L460 VanDerWaalsContact CE-CD2 3.45Å; M102-L460 HydrophobicContact CG-CD1 4.37Å; M102-L460 HydrophobicContact CG-CD2 3.74Å; M102-L460 HydrophobicContact SD-CD2 4.38Å |
| 103 | K | 97.8 | Very high | 98.1 | Very high | 108 Ų | 108 | 44 Ų | 44 | 47% | 0.47 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67.2 | -42.2 | 173.8 | -68.3 | 171.8 | 75.4 | 167.4 | 0 | 112.2 | I99 S100 L101 I105 R106 N147 I149 | I99-K103 HydrophobicContact CG2-CD 4.2Å; I99-K103 HydrophobicContact CG2-CG 4.49Å; I99-K103 WeakPolarHBondContact O-CG 3.06Å; I99-K103 PolarHBondContact O-N 2.7Å; S100-K103 PolarHBondContact O-N 2.73Å; L101-K103 VanDerWaalsContact C-N 3.29Å; L101-K103 PolarHBondContact O-N 3.08Å; K103-I105 VanDerWaalsContact C-N 3.29Å; K103-I105 PolarHBondContact O-N 3.26Å; K103-R106 PolarHBondContact O-N 2.76Å; K103-R106 VanDerWaalsContact O-N 3.08Å; K103-N147 HydrophobicContact CD-CB 3.95Å; K103-N147 WeakPolarHBondContact CD-OD1 3.4Å; K103-N147 WeakPolarHBondContact CE-OD1 3.15Å; K103-N147 HydrophobicContact CG-CB 4.07Å; K103-N147 PolarHBondContact NZ-OD1 2.47Å; K103-I149 HydrophobicContact CG-CD1 4.38Å |
| 104 | E | 94.7 | Very high | 98.1 | Very high | 75 Ų | 75 | 37.8 Ų | 37.8 | 35% | 0.35 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.4 | -43.2 | -178.8 | -167.1 | -157.6 | 153.6 | 0 | 0 | 111.3 | S100 L101 R106 Y477 K498 | S100-E104 PolarHBondContact O-N 2.89Å; L101-E104 WeakPolarHBondContact O-CB 3.34Å; L101-E104 PolarHBondContact O-N 3.44Å; L101-E104 VanDerWaalsContact O-N 3.11Å; E104-R106 VanDerWaalsContact C-N 3.32Å; E104-Y477 PolarHBondContact OE2-OH 2.98Å; E104-K498 WeakPolarHBondContact O-CD 3.41Å; E104-K498 WeakPolarHBondContact O-CE 3.44Å; E104-K498 PolarHBondContact O-NZ 2.96Å |
| 105 | I | 96.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -83.4 | -9 | 178.3 | -156.8 | 177.3 | 0 | 0 | 0 | 113.1 | L101 M102 K103 L107 L476 V494 Y497 K498 I501 | L101-I105 PolarHBondContact O-N 3.35Å; L101-I105 VanDerWaalsContact O-N 3.09Å; M102-I105 WeakPolarHBondContact O-CG2 3.06Å; K103-I105 VanDerWaalsContact C-N 3.29Å; K103-I105 PolarHBondContact O-N 3.26Å; I105-L107 HydrophobicContact CG2-CD1 4.23Å; I105-L107 HydrophobicContact CG2-CD2 3.49Å; I105-L107 VanDerWaalsContact CG2-CD2 3.49Å; I105-L107 HydrophobicContact CG2-CG 3.48Å; I105-L107 VanDerWaalsContact CG2-CG 3.48Å; I105-L476 HydrophobicContact CD1-CD1 3.91Å; I105-V494 HydrophobicContact CB-CG1 4.45Å; I105-V494 HydrophobicContact CD1-CB 4.36Å; I105-V494 HydrophobicContact CD1-CG1 3.94Å; I105-V494 HydrophobicContact CG1-CG1 4.1Å; I105-Y497 HydrophobicContact CD1-CD1 3.64Å; I105-Y497 HydrophobicContact CD1-CG 4.46Å; I105-Y497 HydrophobicContact CG1-CD1 4.41Å; I105-K498 HydrophobicContact CG1-CB 3.94Å; I105-I501 HydrophobicContact CG1-CD1 4.5Å |
| 106 | R | 97.6 | Very high | 98.2 | Very high | 145 Ų | 145 | 35.4 Ų | 35.4 | 55% | 0.547 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 41.9 | 176 | -55 | 177.1 | 166.8 | -176.4 | -9.6 | 114.8 | M102 K103 E104 I501 S502 | M102-R106 PolarHBondContact O-N 3.26Å; K103-R106 PolarHBondContact O-N 2.76Å; K103-R106 VanDerWaalsContact O-N 3.08Å; E104-R106 VanDerWaalsContact C-N 3.32Å; R106-I501 HydrophobicContact CB-CG2 4.5Å; R106-I501 WeakPolarHBondContact O-CG2 3.31Å; R106-S502 PolarHBondContact NH1-OG 2.86Å; R106-S502 VanDerWaalsContact NH1-OG 3.14Å |
| 107 | L | 98.4 | Very high | 98.3 | Very high | 10 Ų | 10 | 28.8 Ų | 28.8 | 5% | 0.052 | 14% | 0.14 | C | C | . | . | trans | -60.9 | 141.6 | 175.9 | -56 | -173.6 | 0 | 0 | 0 | 111.6 | A48 M102 I105 Y497 I501 | A48-L107 HydrophobicContact CB-CD1 3.7Å; A48-L107 HydrophobicContact CB-CD2 4.44Å; M102-L107 HydrophobicContact CB-CD1 3.93Å; M102-L107 HydrophobicContact CB-CG 4.29Å; M102-L107 HydrophobicContact CG-CD1 3.85Å; M102-L107 PolarHBondContact O-N 2.87Å; I105-L107 HydrophobicContact CG2-CD1 4.23Å; I105-L107 HydrophobicContact CG2-CD2 3.49Å; I105-L107 VanDerWaalsContact CG2-CD2 3.49Å; I105-L107 HydrophobicContact CG2-CG 3.48Å; I105-L107 VanDerWaalsContact CG2-CG 3.48Å; L107-Y497 HydrophobicContact CD2-CE1 4.16Å; L107-I501 HydrophobicContact CD2-CD1 3.84Å | ||
| 108 | N | 98.4 | Very high | 98.3 | Very high | 66 Ų | 66 | 25.5 Ų | 25.5 | 35% | 0.353 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -85.1 | -33.3 | 168.8 | -52.3 | 125.2 | 0 | 0 | 0 | 111.4 | W46 T150 | W46-N108 WeakPolarHBondContact CB-OD1 3.47Å; W46-N108 PolarHBondContact N-OD1 2.89Å; W46-N108 WeakPolarHBondContact O-CA 3.45Å; W46-N108 WeakPolarHBondContact O-CB 3.5Å; W46-N108 PolarHBondContact O-N 3.18Å; N108-T150 PolarHBondContact O-N 2.82Å |
| 109 | H | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 155.7 | 178.5 | 74.1 | -94.5 | 0 | 0 | 0 | 112.2 | S45 W46 G47 T150 I152 Y455 T456 | S45-H109 PolarHBondContact O-CE1 3.04Å; S45-H109 PolarHBondContact OG-ND1 3.15Å; W46-H109 PolarHBondContact O-N 2.83Å; G47-H109 WeakPolarHBondContact CA-O 3.41Å; G47-H109 PolarHBondContact N-CE1 3.31Å; G47-H109 VanDerWaalsContact N-CE1 3.26Å; H109-T150 CarbonylContact C-O 3.54Å; H109-T150 WeakPolarHBondContact CA-O 3.37Å; H109-T150 VanDerWaalsContact CB-O 3.26Å; H109-T150 WeakPolarHBondContact CB-O 3.38Å; H109-I152 HydrophobicContact CB-CD1 4.11Å; H109-I152 HydrophobicContact CB-CG1 4.19Å; H109-I152 WeakPolarHBondContact CD2-CD1 3.27Å; H109-Y455 PolarHBondContact CE1-O 3.32Å; H109-Y455 VanDerWaalsContact CE1-O 3.26Å; H109-T456 PolarHBondContact NE2-OG1 3.36Å |
| 110 | Y | 98.9 | Very high | 98.3 | Very high | 10 Ų | 10 | 24.9 Ų | 24.9 | 4% | 0.039 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 126.3 | 169.4 | -178.4 | -123.6 | 0 | 0 | 0 | 108.8 | A48 M102 F112 L144 T150 I152 L460 | A48-Y110 WeakPolarHBondContact O-CD2 3.23Å; M102-Y110 HydrophobicContact CE-CD1 3.54Å; M102-Y110 HydrophobicContact CE-CD2 3.63Å; M102-Y110 HydrophobicContact CE-CE1 3.49Å; M102-Y110 VanDerWaalsContact CE-CE1 3.49Å; M102-Y110 HydrophobicContact CE-CE2 3.64Å; M102-Y110 HydrophobicContact CE-CG 3.61Å; M102-Y110 HydrophobicContact SD-CD1 3.98Å; M102-Y110 HydrophobicContact SD-CD2 3.85Å; M102-Y110 HydrophobicContact SD-CE2 4.45Å; M102-Y110 HydrophobicContact SD-CG 3.61Å; Y110-F112 HydrophobicContact CD1-CB 4.13Å; Y110-F112 AromaticContact CD1-CD1 3.86Å; Y110-F112 HydrophobicContact CD1-CD1 3.86Å; Y110-F112 HydrophobicContact CD1-CG 4.38Å; Y110-F112 HydrophobicContact CE1-CB 3.65Å; Y110-F112 HydrophobicContact CE1-CD1 4.17Å; Y110-F112 HydrophobicContact CE1-CG 4.23Å; Y110-L144 HydrophobicContact CD1-CD1 4.14Å; Y110-L144 HydrophobicContact CD1-CD2 3.98Å; Y110-L144 HydrophobicContact CG-CD2 4.2Å; Y110-T150 PolarHBondContact N-O 3.41Å; Y110-I152 PolarHBondContact O-N 3.21Å; Y110-L460 HydrophobicContact CD2-CD2 4.43Å; Y110-L460 HydrophobicContact CE2-CB 4.22Å; Y110-L460 HydrophobicContact CE2-CD2 3.83Å |
| 111 | R | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 121.8 | 174.6 | 180 | 176.6 | 160.7 | -96 | -5.5 | 109.3 | A48 G49 G50 I152 T154 I199 N202 T413 E414 T456 | A48-R111 PolarHBondContact O-N 2.97Å; G49-R111 CarbonylContact C-O 3.53Å; G49-R111 VanDerWaalsContact CA-O 3.29Å; G49-R111 WeakPolarHBondContact CA-O 2.95Å; G50-R111 PolarHBondContact N-O 2.9Å; R111-I152 VanDerWaalsContact CA-O 3.26Å; R111-I152 WeakPolarHBondContact CA-O 3.32Å; R111-I152 HydrophobicContact CB-CB 4.21Å; R111-I152 HydrophobicContact CG-CB 4.41Å; R111-I152 HydrophobicContact CG-CG2 4.27Å; R111-T154 PolarHBondContact NE-OG1 2.97Å; R111-I199 HydrophobicContact CG-CD1 4.45Å; R111-N202 PolarHBondContact NH2-OD1 3.3Å; R111-T413 PolarHBondContact NH1-O 2.87Å; R111-T413 VanDerWaalsContact NH1-O 3.13Å; R111-E414 IonicContact CZ-OE1 2.88Å; R111-E414 VanDerWaalsContact CZ-OE1 3.23Å; R111-E414 IonicContact NH1-OE1 3.87Å; R111-E414 PolarHBondContact NH1-OE1 3.36Å; R111-E414 IonicContact NH2-OE1 3.71Å; R111-E414 PolarHBondContact NH2-OE1 3.28Å; R111-T456 HydrophobicContact CB-CG2 3.85Å |
| 112 | F | 98.9 | Very high | 98.3 | Very high | 8 Ų | 8 | 23 Ų | 23 | 4% | 0.035 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 168.2 | 174.4 | 68 | -83 | 0 | 0 | 0 | 110.8 | G50 Y110 I114 Y137 L140 I141 L144 P151 I152 V153 T154 | G50-F112 WeakPolarHBondContact O-CA 3.17Å; Y110-F112 HydrophobicContact CD1-CB 4.13Å; Y110-F112 AromaticContact CD1-CD1 3.86Å; Y110-F112 HydrophobicContact CD1-CD1 3.86Å; Y110-F112 HydrophobicContact CD1-CG 4.38Å; Y110-F112 HydrophobicContact CE1-CB 3.65Å; Y110-F112 HydrophobicContact CE1-CD1 4.17Å; Y110-F112 HydrophobicContact CE1-CG 4.23Å; F112-I114 HydrophobicContact CE2-CG1 4.23Å; F112-Y137 HydrophobicContact CD2-CD1 4.36Å; F112-Y137 AromaticContact CE2-CD1 3.85Å; F112-Y137 HydrophobicContact CE2-CD1 3.85Å; F112-Y137 HydrophobicContact CE2-CE1 4.41Å; F112-L140 HydrophobicContact CD1-CD2 4.32Å; F112-L140 HydrophobicContact CD2-CD2 3.74Å; F112-L140 HydrophobicContact CE1-CD2 4.3Å; F112-L140 HydrophobicContact CE2-CD2 3.74Å; F112-L140 HydrophobicContact CG-CD2 4.04Å; F112-L140 HydrophobicContact CZ-CD2 4.02Å; F112-L140 HydrophobicContact CZ-CG 4.42Å; F112-I141 HydrophobicContact CE1-CG1 4.49Å; F112-I141 HydrophobicContact CZ-CD1 4.32Å; F112-I141 HydrophobicContact CZ-CG1 3.79Å; F112-L144 HydrophobicContact CD1-CD1 4.1Å; F112-L144 HydrophobicContact CE1-CD1 3.64Å; F112-P151 HydrophobicContact CE1-CB 3.92Å; F112-I152 PolarHBondContact N-O 3.45Å; F112-I152 VanDerWaalsContact N-O 3.1Å; F112-V153 HydrophobicContact CE1-CG2 3.82Å; F112-V153 HydrophobicContact CE2-CG2 4.17Å; F112-V153 HydrophobicContact CZ-CG2 3.57Å; F112-T154 PolarHBondContact O-N 3.15Å |
| 113 | S | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.007 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 151.4 | 171.9 | 74.1 | 0 | 0 | 0 | 0 | 112.1 | A52 T154 H157 | A52-S113 WeakPolarHBondContact CB-OG 3.39Å; A52-S113 PolarHBondContact N-OG 2.89Å; S113-T154 CarbonylContact C-O 3.55Å; S113-T154 WeakPolarHBondContact CA-O 3.31Å; S113-T154 WeakPolarHBondContact CB-O 3.29Å; S113-H157 WeakPolarHBondContact OG-CB 3.49Å |
| 114 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -91.4 | 130.6 | 170.3 | -67.5 | 175.1 | 0 | 0 | 0 | 108.1 | F112 W116 I119 Y137 V153 T154 F183 C187 F191 W198 | F112-I114 HydrophobicContact CE2-CG1 4.23Å; I114-W116 PolarHBondContact O-N 3.47Å; I114-I119 HydrophobicContact CG2-CD1 4.4Å; I114-I119 HydrophobicContact CG2-CG1 3.61Å; I114-Y137 HydrophobicContact CB-CE1 4.41Å; I114-Y137 HydrophobicContact CB-CE2 4.33Å; I114-Y137 HydrophobicContact CG1-CD1 3.98Å; I114-Y137 HydrophobicContact CG1-CD2 4.33Å; I114-Y137 HydrophobicContact CG1-CE1 4.18Å; I114-Y137 HydrophobicContact CG1-CG 4.08Å; I114-Y137 HydrophobicContact CG2-CD2 3.91Å; I114-Y137 HydrophobicContact CG2-CE2 3.65Å; I114-Y137 HydrophobicContact CG2-CG 4.49Å; I114-V153 HydrophobicContact CD1-CG1 3.56Å; I114-V153 HydrophobicContact CG1-CG1 3.74Å; I114-T154 PolarHBondContact N-O 2.92Å; I114-F183 HydrophobicContact CB-CZ 4.36Å; I114-F183 HydrophobicContact CG2-CE2 4.12Å; I114-F183 HydrophobicContact CG2-CZ 3.78Å; I114-C187 HydrophobicContact CD1-CB 4.44Å; I114-F191 HydrophobicContact CD1-CD2 3.71Å; I114-F191 HydrophobicContact CD1-CE2 3.72Å; I114-W198 HydrophobicContact CD1-CZ3 4.47Å | ||
| 115 | S | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.014 | 9% | 0.085 | C | C | . | . | trans | -76.2 | 112.9 | 175.5 | -173.1 | 0 | 0 | 0 | 0 | 110.9 | P117 R118 I119 Y137 D159 | S115-P117 WeakPolarHBondContact OG-CD 3.36Å; S115-R118 WeakPolarHBondContact O-CB 3.37Å; S115-R118 PolarHBondContact O-N 2.97Å; S115-R118 VanDerWaalsContact O-N 3.07Å; S115-I119 PolarHBondContact O-N 3.22Å; S115-Y137 VanDerWaalsContact CB-OH 3.26Å; S115-Y137 WeakPolarHBondContact CB-OH 3.39Å; S115-Y137 PolarHBondContact N-OH 3.21Å; S115-D159 WeakPolarHBondContact CA-OD2 3.28Å; S115-D159 WeakPolarHBondContact CB-OD2 3.34Å; S115-D159 PolarHBondContact OG-OD2 3.48Å | ||
| 116 | W | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -54.7 | -51.7 | 176.8 | -171.2 | -5.7 | 0 | 0 | 0 | 112.1 | I114 R118 I119 I120 Y156 L160 P161 L164 W171 H179 F180 F183 | I114-W116 PolarHBondContact O-N 3.47Å; W116-R118 PolarHBondContact O-N 3.14Å; W116-I119 PolarHBondContact O-N 2.67Å; W116-I119 VanDerWaalsContact O-N 3.12Å; W116-I120 PolarHBondContact O-N 3.08Å; W116-Y156 HydrophobicContact CE3-CD2 4.01Å; W116-Y156 HydrophobicContact CE3-CE2 4.26Å; W116-Y156 HydrophobicContact CZ3-CD2 4.37Å; W116-L160 HydrophobicContact CE3-CD1 4Å; W116-L160 HydrophobicContact CH2-CD1 4.22Å; W116-L160 HydrophobicContact CZ3-CD1 3.6Å; W116-P161 HydrophobicContact CB-CG 4.12Å; W116-P161 HydrophobicContact CD2-CG 3.89Å; W116-P161 HydrophobicContact CG-CG 3.63Å; W116-L164 HydrophobicContact CH2-CD1 3.66Å; W116-L164 HydrophobicContact CZ2-CD1 3.5Å; W116-L164 HydrophobicContact CZ3-CD1 4.37Å; W116-W171 HydrophobicContact CZ3-CZ2 4.44Å; W116-H179 HydrophobicContact CH2-CB 4.11Å; W116-H179 VanDerWaalsContact CZ2-C 3.42Å; W116-H179 HydrophobicContact CZ2-CB 3.9Å; W116-H179 VanDerWaalsContact CZ2-O 3.29Å; W116-H179 WeakPolarHBondContact CZ2-O 3.1Å; W116-F180 HydrophobicContact CE3-CD2 4.03Å; W116-F180 HydrophobicContact CH2-CB 3.67Å; W116-F180 HydrophobicContact CH2-CD2 4.02Å; W116-F180 HydrophobicContact CH2-CG 4.36Å; W116-F180 VanDerWaalsContact CH2-N 3.35Å; W116-F180 HydrophobicContact CZ3-CB 3.99Å; W116-F180 AromaticContact CZ3-CD2 3.58Å; W116-F180 HydrophobicContact CZ3-CD2 3.58Å; W116-F180 HydrophobicContact CZ3-CG 4.25Å; W116-F183 HydrophobicContact CB-CD1 4.24Å; W116-F183 HydrophobicContact CB-CD2 4.39Å; W116-F183 HydrophobicContact CB-CE1 3.94Å; W116-F183 HydrophobicContact CB-CE2 4.11Å; W116-F183 HydrophobicContact CB-CG 4.45Å; W116-F183 HydrophobicContact CB-CZ 3.86Å; W116-F183 AromaticContact CD1-CD2 3.44Å; W116-F183 VanDerWaalsContact CD1-CD2 3.44Å; W116-F183 AromaticContact CD1-CE2 3.96Å; W116-F183 AromaticContact CD1-CG 3.51Å; W116-F183 HydrophobicContact CD2-CB 4.19Å; W116-F183 AromaticContact CD2-CD1 3.84Å; W116-F183 HydrophobicContact CD2-CD1 3.84Å; W116-F183 HydrophobicContact CD2-CE1 4.38Å; W116-F183 AromaticContact CD2-CG 3.93Å; W116-F183 HydrophobicContact CD2-CG 3.93Å; W116-F183 AromaticContact CE2-CG 3.85Å; W116-F183 HydrophobicContact CE3-CD1 4.29Å; W116-F183 HydrophobicContact CG-CB 4.38Å; W116-F183 AromaticContact CG-CD1 3.82Å; W116-F183 HydrophobicContact CG-CD1 3.82Å; W116-F183 AromaticContact CG-CD2 3.91Å; W116-F183 HydrophobicContact CG-CD2 3.91Å; W116-F183 HydrophobicContact CG-CE1 4.04Å; W116-F183 HydrophobicContact CG-CE2 4.14Å; W116-F183 AromaticContact CG-CG 3.75Å; W116-F183 HydrophobicContact CG-CG 3.75Å; W116-F183 HydrophobicContact CG-CZ 4.19Å; W116-F183 HydrophobicContact CZ2-CB 4Å; W116-F183 AromaticContact NE1-CD2 3.89Å; W116-F183 AromaticContact NE1-CG 3.6Å |
| 117 | P | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.5 | -14 | 178.9 | 25.9 | -33.1 | 0 | 0 | 0 | 113.8 | G65 S115 P121 D159 P161 | G65-P117 PolarHBondContact N-O 2.96Å; G65-P117 WeakPolarHBondContact O-CB 3.45Å; S115-P117 WeakPolarHBondContact OG-CD 3.36Å; P117-P121 VanDerWaalsContact O-CA 3.29Å; P117-P121 WeakPolarHBondContact O-CA 3.38Å; P117-D159 WeakPolarHBondContact CD-O 3.19Å; P117-D159 WeakPolarHBondContact CG-O 3.19Å; P117-P161 HydrophobicContact CB-CB 4.18Å; P117-P161 HydrophobicContact CB-CG 4.08Å |
| 118 | R | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 2% | 0.015 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -75.5 | -36.6 | 170.8 | -165.2 | 176.9 | -60.9 | -75.6 | 2.9 | 111.9 | E56 G57 A58 K64 S115 W116 N130 | E56-R118 IonicContact OE2-CZ 2.76Å; E56-R118 IonicContact OE2-NE 3.74Å; E56-R118 PolarHBondContact OE2-NE 2.99Å; E56-R118 IonicContact OE2-NH2 3.18Å; E56-R118 PolarHBondContact OE2-NH2 3.4Å; G57-R118 PolarHBondContact O-NH2 2.78Å; A58-R118 PolarHBondContact O-NH1 2.7Å; K64-R118 HydrophobicContact CB-CB 4.4Å; K64-R118 HydrophobicContact CB-CG 4.2Å; K64-R118 HydrophobicContact CD-CB 4.05Å; K64-R118 HydrophobicContact CD-CG 4.32Å; K64-R118 VanDerWaalsContact CD-CZ 3.43Å; K64-R118 HydrophobicContact CG-CB 4.13Å; K64-R118 HydrophobicContact CG-CG 4.42Å; S115-R118 WeakPolarHBondContact O-CB 3.37Å; S115-R118 PolarHBondContact O-N 2.97Å; S115-R118 VanDerWaalsContact O-N 3.07Å; W116-R118 PolarHBondContact O-N 3.14Å; R118-N130 VanDerWaalsContact O-CB 3.23Å; R118-N130 WeakPolarHBondContact O-CB 3.36Å; R118-N130 PolarHBondContact O-ND2 2.83Å |
| 119 | I | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -87.3 | -41.7 | -179.4 | -59.2 | -65.9 | 0 | 0 | 0 | 112.3 | I114 S115 W116 N130 G133 I134 Y137 F183 L186 F191 | I114-I119 HydrophobicContact CG2-CD1 4.4Å; I114-I119 HydrophobicContact CG2-CG1 3.61Å; S115-I119 PolarHBondContact O-N 3.22Å; W116-I119 PolarHBondContact O-N 2.67Å; W116-I119 VanDerWaalsContact O-N 3.12Å; I119-N130 PolarHBondContact O-N 3.12Å; I119-G133 WeakPolarHBondContact CD1-O 3.15Å; I119-I134 HydrophobicContact CD1-CB 4.47Å; I119-I134 HydrophobicContact CD1-CG1 3.85Å; I119-I134 HydrophobicContact CG2-CG1 4.28Å; I119-Y137 HydrophobicContact CD1-CD2 3.62Å; I119-Y137 HydrophobicContact CD1-CE2 3.85Å; I119-Y137 HydrophobicContact CG1-CD2 4.2Å; I119-Y137 HydrophobicContact CG1-CE2 4.04Å; I119-F183 HydrophobicContact CB-CE2 3.95Å; I119-F183 HydrophobicContact CG1-CE2 4.23Å; I119-F183 HydrophobicContact CG2-CD2 4.5Å; I119-F183 HydrophobicContact CG2-CE2 4.25Å; I119-L186 HydrophobicContact CG2-CD2 3.77Å; I119-F191 HydrophobicContact CD1-CZ 4.47Å |
| 120 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -128.9 | 91 | 179 | -49.2 | -176.6 | 0 | 0 | 0 | 107.6 | W116 T122 G123 V124 K125 F183 L186 | W116-I120 PolarHBondContact O-N 3.08Å; I120-T122 VanDerWaalsContact C-N 3.3Å; I120-T122 PolarHBondContact O-N 2.93Å; I120-G123 VanDerWaalsContact CG2-C 3.46Å; I120-G123 WeakPolarHBondContact O-CA 3.25Å; I120-G123 PolarHBondContact O-N 3.29Å; I120-V124 VanDerWaalsContact CG2-C 3.49Å; I120-V124 WeakPolarHBondContact CG2-O 3.3Å; I120-K125 HydrophobicContact CD1-CB 4.06Å; I120-K125 HydrophobicContact CD1-CG 4.45Å; I120-F183 HydrophobicContact CD1-CB 3.95Å; I120-F183 HydrophobicContact CD1-CD2 3.95Å; I120-F183 HydrophobicContact CD1-CG 4.44Å; I120-F183 HydrophobicContact CG1-CD2 4.19Å; I120-L186 HydrophobicContact CD1-CD2 3.98Å; I120-L186 HydrophobicContact CG1-CD2 4.07Å |
| 121 | P | 98.6 | Very high | 98 | Very high | 18 Ų | 18 | 26.3 Ų | 26.3 | 12% | 0.117 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -36 | -170.6 | -32.2 | 40.3 | 0 | 0 | 0 | 115.8 | G63 P117 N130 | G63-P121 WeakPolarHBondContact O-CG 3.45Å; P117-P121 VanDerWaalsContact O-CA 3.29Å; P117-P121 WeakPolarHBondContact O-CA 3.38Å; P121-N130 HydrophobicContact CG-CB 4.1Å |
| 122 | T | 98.3 | Very high | 98 | Very high | 34 Ų | 34 | 31.3 Ų | 31.3 | 21% | 0.209 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -7.7 | 175.7 | 68.5 | 0 | 0 | 0 | 0 | 113.1 | I120 V124 D127 V163 | I120-T122 VanDerWaalsContact C-N 3.3Å; I120-T122 PolarHBondContact O-N 2.93Å; T122-V124 PolarHBondContact O-N 3.16Å; T122-V124 PolarHBondContact OG1-N 3.5Å; T122-D127 WeakPolarHBondContact CB-OD2 3.22Å; T122-D127 HydrophobicContact CG2-CB 4.28Å; T122-D127 WeakPolarHBondContact OG1-CB 3.46Å; T122-D127 PolarHBondContact OG1-OD2 2.97Å; T122-V163 WeakPolarHBondContact O-CB 3Å |
| 123 | G | 98 | Very high | 98 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 75.5 | -9 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | I120 | I120-G123 VanDerWaalsContact CG2-C 3.46Å; I120-G123 WeakPolarHBondContact O-CA 3.25Å; I120-G123 PolarHBondContact O-N 3.29Å |
| 124 | V | 97.7 | Very high | 98 | Very high | 19 Ų | 19 | 31.8 Ų | 31.8 | 12% | 0.115 | 18% | 0.183 | C | C | . | . | trans | -101.9 | 112 | 179 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | I120 T122 S126 D127 L164 | I120-V124 VanDerWaalsContact CG2-C 3.49Å; I120-V124 WeakPolarHBondContact CG2-O 3.3Å; T122-V124 PolarHBondContact O-N 3.16Å; T122-V124 PolarHBondContact OG1-N 3.5Å; V124-S126 WeakPolarHBondContact CG1-OG 3.16Å; V124-S126 PolarHBondContact O-N 3.01Å; V124-S126 VanDerWaalsContact O-N 3.15Å; V124-D127 WeakPolarHBondContact O-CB 3.26Å; V124-D127 PolarHBondContact O-N 3.41Å; V124-L164 HydrophobicContact CG2-CD2 3.95Å | ||
| 125 | K | 94.4 | Very high | 98 | Very high | 62 Ų | 62 | 35.5 Ų | 35.5 | 27% | 0.27 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -35.8 | -173.6 | -176.8 | 177.4 | 177.7 | 173.5 | 0 | 113.7 | I120 D127 V129 D182 L186 E189 | I120-K125 HydrophobicContact CD1-CB 4.06Å; I120-K125 HydrophobicContact CD1-CG 4.45Å; K125-D127 VanDerWaalsContact C-N 3.25Å; K125-D127 PolarHBondContact O-N 3.13Å; K125-V129 HydrophobicContact CG-CG2 4.23Å; K125-D182 HydrophobicContact CB-CB 4.08Å; K125-D182 HydrophobicContact CD-CB 4.3Å; K125-L186 HydrophobicContact CD-CB 4.45Å; K125-E189 IonicContact NZ-OE2 2.84Å |
| 126 | S | 95.3 | Very high | 98 | Very high | 107 Ų | 107 | 36 Ų | 36 | 75% | 0.748 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -19.2 | -179.3 | 55.3 | 0 | 0 | 0 | 0 | 114.1 | V124 | V124-S126 WeakPolarHBondContact CG1-OG 3.16Å; V124-S126 PolarHBondContact O-N 3.01Å; V124-S126 VanDerWaalsContact O-N 3.15Å |
| 127 | D | 95.9 | Very high | 98 | Very high | 89 Ų | 89 | 36 Ų | 36 | 48% | 0.476 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -59.6 | -177.9 | -64.4 | -4.6 | 0 | 0 | 0 | 110.2 | T122 V124 K125 | T122-D127 WeakPolarHBondContact CB-OD2 3.22Å; T122-D127 HydrophobicContact CG2-CB 4.28Å; T122-D127 WeakPolarHBondContact OG1-CB 3.46Å; T122-D127 PolarHBondContact OG1-OD2 2.97Å; V124-D127 WeakPolarHBondContact O-CB 3.26Å; V124-D127 PolarHBondContact O-N 3.41Å; K125-D127 VanDerWaalsContact C-N 3.25Å; K125-D127 PolarHBondContact O-N 3.13Å |
| 128 | H | 95.8 | Very high | 98 | Very high | 102 Ų | 102 | 38 Ų | 38 | 47% | 0.472 | 21% | 0.213 | S | C | . | . | trans | -162.5 | 135.1 | -178.3 | -175.8 | 60.4 | 0 | 0 | 0 | 111.7 | ||||
| 129 | V | 98.6 | Very high | 98 | Very high | 47 Ų | 47 | 42 Ų | 42 | 29% | 0.285 | 23% | 0.231 | S | C | . | . | trans | -108.7 | 122.4 | 168.4 | 173.2 | 0 | 0 | 0 | 0 | 108.1 | K125 G131 I134 L186 | K125-V129 HydrophobicContact CG-CG2 4.23Å; V129-G131 PolarHBondContact O-N 3.39Å; V129-I134 HydrophobicContact CG1-CD1 3.47Å; V129-I134 VanDerWaalsContact CG1-CD1 3.47Å; V129-I134 HydrophobicContact CG1-CG1 4.5Å; V129-L186 HydrophobicContact CB-CD2 4.49Å; V129-L186 HydrophobicContact CG1-CD2 3.83Å; V129-L186 HydrophobicContact CG2-CD2 3.81Å | ||
| 130 | N | 98.7 | Very high | 98 | Very high | 10 Ų | 10 | 42.5 Ų | 42.5 | 5% | 0.053 | 23% | 0.234 | C | C | . | . | trans | -82.7 | 106.3 | -177.5 | 179.9 | 10.7 | 0 | 0 | 0 | 111.1 | D62 R118 I119 P121 K132 G133 I134 | D62-N130 PolarHBondContact O-ND2 3.39Å; D62-N130 PolarHBondContact O-OD1 3.22Å; R118-N130 VanDerWaalsContact O-CB 3.23Å; R118-N130 WeakPolarHBondContact O-CB 3.36Å; R118-N130 PolarHBondContact O-ND2 2.83Å; I119-N130 PolarHBondContact O-N 3.12Å; P121-N130 HydrophobicContact CG-CB 4.1Å; N130-K132 VanDerWaalsContact C-N 3.26Å; N130-K132 PolarHBondContact O-N 3.25Å; N130-K132 PolarHBondContact OD1-N 3.39Å; N130-G133 PolarHBondContact ND2-N 3.23Å; N130-G133 PolarHBondContact O-N 3.42Å; N130-I134 PolarHBondContact O-N 2.79Å | ||
| 131 | G | 98.6 | Very high | 98 | Very high | 49 Ų | 49 | 42.5 Ų | 42.5 | 51% | 0.505 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.1 | -30 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V129 I134 Q135 | V129-G131 PolarHBondContact O-N 3.39Å; G131-I134 PolarHBondContact O-N 3.09Å; G131-Q135 WeakPolarHBondContact O-CB 3.35Å; G131-Q135 PolarHBondContact O-N 3.08Å |
| 132 | K | 98.8 | Very high | 98 | Very high | 104 Ų | 104 | 44.7 Ų | 44.7 | 45% | 0.452 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -73.1 | -36.8 | 177.3 | -70.8 | -65.2 | -178.2 | -175.6 | 0 | 112.6 | D62 N130 I134 Q135 Y136 | D62-K132 HydrophobicContact CB-CB 3.73Å; D62-K132 HydrophobicContact CB-CG 4.12Å; N130-K132 VanDerWaalsContact C-N 3.26Å; N130-K132 PolarHBondContact O-N 3.25Å; N130-K132 PolarHBondContact OD1-N 3.39Å; K132-I134 VanDerWaalsContact C-N 3.33Å; K132-Q135 PolarHBondContact O-N 2.89Å; K132-Y136 PolarHBondContact O-N 2.73Å |
| 133 | G | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.9 | -44.3 | 170 | 0 | 0 | 0 | 0 | 0 | 112 | I119 N130 Y136 Y137 | I119-G133 WeakPolarHBondContact CD1-O 3.15Å; N130-G133 PolarHBondContact ND2-N 3.23Å; N130-G133 PolarHBondContact O-N 3.42Å; G133-Y136 PolarHBondContact O-N 2.87Å; G133-Y137 WeakPolarHBondContact O-CD2 3.45Å; G133-Y137 PolarHBondContact O-N 3.38Å |
| 134 | I | 98.9 | Very high | 98.1 | Very high | 19 Ų | 19 | 45.1 Ų | 45.1 | 10% | 0.097 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.7 | -48.2 | 176.5 | -67.3 | 171.2 | 0 | 0 | 0 | 110.4 | I119 V129 N130 G131 K132 Y136 Y137 D138 K190 F191 | I119-I134 HydrophobicContact CD1-CB 4.47Å; I119-I134 HydrophobicContact CD1-CG1 3.85Å; I119-I134 HydrophobicContact CG2-CG1 4.28Å; V129-I134 HydrophobicContact CG1-CD1 3.47Å; V129-I134 VanDerWaalsContact CG1-CD1 3.47Å; V129-I134 HydrophobicContact CG1-CG1 4.5Å; N130-I134 PolarHBondContact O-N 2.79Å; G131-I134 PolarHBondContact O-N 3.09Å; K132-I134 VanDerWaalsContact C-N 3.33Å; I134-Y136 VanDerWaalsContact C-N 3.29Å; I134-Y136 PolarHBondContact O-N 3.2Å; I134-Y137 PolarHBondContact O-N 3.39Å; I134-D138 WeakPolarHBondContact CG2-OD2 3.34Å; I134-D138 PolarHBondContact O-N 3.12Å; I134-K190 HydrophobicContact CD1-CG 4.16Å; I134-K190 HydrophobicContact CG2-CB 4.46Å; I134-K190 HydrophobicContact CG2-CG 4.33Å; I134-F191 HydrophobicContact CG2-CE1 4.09Å; I134-F191 HydrophobicContact CG2-CZ 4.14Å |
| 135 | Q | 98.9 | Very high | 98.1 | Very high | 79 Ų | 79 | 47.2 Ų | 47.2 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -54.9 | -43.5 | 178.7 | -174.6 | -176.2 | -9.3 | 0 | 0 | 112.1 | G131 K132 Y137 D138 E139 | G131-Q135 WeakPolarHBondContact O-CB 3.35Å; G131-Q135 PolarHBondContact O-N 3.08Å; K132-Q135 PolarHBondContact O-N 2.89Å; Q135-Y137 PolarHBondContact O-N 2.9Å; Q135-D138 PolarHBondContact O-N 2.91Å; Q135-E139 HydrophobicContact CG-CG 4.48Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.45Å; Q135-E139 PolarHBondContact NE2-OE1 3.41Å; Q135-E139 WeakPolarHBondContact O-CB 3.07Å; Q135-E139 WeakPolarHBondContact O-CG 3.13Å; Q135-E139 PolarHBondContact O-N 3.36Å |
| 136 | Y | 98.9 | Very high | 98.3 | Very high | 13 Ų | 13 | 50.2 Ų | 50.2 | 5% | 0.051 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.4 | -49 | 178.4 | 169.6 | -108.4 | 0 | 0 | 0 | 112.9 | E56 S91 Y92 I95 K132 G133 I134 E139 L140 | E56-Y136 HydrophobicContact CG-CE1 4.22Å; S91-Y136 PolarHBondContact O-OH 3.01Å; S91-Y136 VanDerWaalsContact O-OH 3.06Å; Y92-Y136 VanDerWaalsContact CA-CE2 3.47Å; Y92-Y136 HydrophobicContact CD2-CD1 4.05Å; Y92-Y136 AromaticContact CD2-CD2 3.57Å; Y92-Y136 HydrophobicContact CD2-CD2 3.57Å; Y92-Y136 HydrophobicContact CD2-CE1 4.21Å; Y92-Y136 AromaticContact CD2-CE2 3.78Å; Y92-Y136 HydrophobicContact CD2-CE2 3.78Å; Y92-Y136 AromaticContact CD2-CG 3.72Å; Y92-Y136 HydrophobicContact CD2-CG 3.72Å; Y92-Y136 HydrophobicContact CE2-CD1 4.23Å; Y92-Y136 AromaticContact CE2-CD2 3.76Å; Y92-Y136 HydrophobicContact CE2-CD2 3.76Å; Y92-Y136 HydrophobicContact CE2-CE2 4.44Å; Y92-Y136 AromaticContact CE2-CG 3.65Å; Y92-Y136 HydrophobicContact CE2-CG 3.65Å; Y92-Y136 HydrophobicContact CG-CD2 4.37Å; Y92-Y136 HydrophobicContact CG-CE2 4.33Å; Y92-Y136 WeakPolarHBondContact O-CE2 3.43Å; I95-Y136 HydrophobicContact CD1-CD2 3.79Å; I95-Y136 HydrophobicContact CD1-CE2 3.54Å; I95-Y136 HydrophobicContact CG1-CE2 3.77Å; K132-Y136 PolarHBondContact O-N 2.73Å; G133-Y136 PolarHBondContact O-N 2.87Å; I134-Y136 VanDerWaalsContact C-N 3.29Å; I134-Y136 PolarHBondContact O-N 3.2Å; Y136-E139 PolarHBondContact O-N 3.25Å; Y136-L140 PolarHBondContact O-N 2.95Å |
| 137 | Y | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -73.5 | -31.6 | 179.7 | -64.2 | -68.2 | 0 | 0 | 0 | 112.5 | E56 F112 I114 S115 I119 G133 I134 Q135 L140 I141 | E56-Y137 VanDerWaalsContact CD-OH 3.27Å; E56-Y137 VanDerWaalsContact OE1-CE1 3.31Å; E56-Y137 WeakPolarHBondContact OE1-CE1 3.15Å; E56-Y137 VanDerWaalsContact OE1-CZ 3.29Å; E56-Y137 PolarHBondContact OE1-OH 3Å; E56-Y137 PolarHBondContact OE2-OH 3.49Å; F112-Y137 HydrophobicContact CD2-CD1 4.36Å; F112-Y137 AromaticContact CE2-CD1 3.85Å; F112-Y137 HydrophobicContact CE2-CD1 3.85Å; F112-Y137 HydrophobicContact CE2-CE1 4.41Å; I114-Y137 HydrophobicContact CB-CE1 4.41Å; I114-Y137 HydrophobicContact CB-CE2 4.33Å; I114-Y137 HydrophobicContact CG1-CD1 3.98Å; I114-Y137 HydrophobicContact CG1-CD2 4.33Å; I114-Y137 HydrophobicContact CG1-CE1 4.18Å; I114-Y137 HydrophobicContact CG1-CG 4.08Å; I114-Y137 HydrophobicContact CG2-CD2 3.91Å; I114-Y137 HydrophobicContact CG2-CE2 3.65Å; I114-Y137 HydrophobicContact CG2-CG 4.49Å; S115-Y137 VanDerWaalsContact CB-OH 3.26Å; S115-Y137 WeakPolarHBondContact CB-OH 3.39Å; S115-Y137 PolarHBondContact N-OH 3.21Å; I119-Y137 HydrophobicContact CD1-CD2 3.62Å; I119-Y137 HydrophobicContact CD1-CE2 3.85Å; I119-Y137 HydrophobicContact CG1-CD2 4.2Å; I119-Y137 HydrophobicContact CG1-CE2 4.04Å; G133-Y137 WeakPolarHBondContact O-CD2 3.45Å; G133-Y137 PolarHBondContact O-N 3.38Å; I134-Y137 PolarHBondContact O-N 3.39Å; Q135-Y137 PolarHBondContact O-N 2.9Å; Y137-L140 HydrophobicContact CD1-CD2 4.44Å; Y137-L140 PolarHBondContact O-N 3.29Å; Y137-I141 VanDerWaalsContact O-CB 3.32Å; Y137-I141 WeakPolarHBondContact O-CB 3.47Å; Y137-I141 WeakPolarHBondContact O-CD1 3.42Å; Y137-I141 WeakPolarHBondContact O-CG1 3.34Å; Y137-I141 PolarHBondContact O-N 3Å |
| 138 | D | 98.8 | Very high | 98.6 | Very high | 42 Ų | 42 | 50.9 Ų | 50.9 | 23% | 0.225 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.4 | -50.5 | 170.2 | -85.5 | -27.2 | 0 | 0 | 0 | 110.6 | I134 Q135 L140 I141 D142 F191 R194 | I134-D138 WeakPolarHBondContact CG2-OD2 3.34Å; I134-D138 PolarHBondContact O-N 3.12Å; Q135-D138 PolarHBondContact O-N 2.91Å; D138-L140 PolarHBondContact O-N 3.06Å; D138-I141 PolarHBondContact O-N 3.24Å; D138-D142 WeakPolarHBondContact O-CB 3.43Å; D138-D142 PolarHBondContact O-N 2.59Å; D138-F191 VanDerWaalsContact OD1-CD1 3.22Å; D138-F191 WeakPolarHBondContact OD1-CD1 3.44Å; D138-F191 VanDerWaalsContact OD1-CE1 3.27Å; D138-F191 WeakPolarHBondContact OD1-CE1 3.14Å; D138-R194 IonicContact OD1-CZ 2.73Å; D138-R194 IonicContact OD1-NH1 3.62Å; D138-R194 IonicContact OD1-NH2 3.59Å; D138-R194 PolarHBondContact OD1-NH2 3.06Å |
| 139 | E | 98.8 | Very high | 98.7 | Very high | 86 Ų | 86 | 46.1 Ų | 46.1 | 40% | 0.402 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.6 | -40.8 | 178.6 | -73.1 | 175.9 | -165.9 | 0 | 0 | 112.3 | I95 Q135 Y136 H143 | I95-E139 HydrophobicContact CD1-CB 4.28Å; Q135-E139 HydrophobicContact CG-CG 4.48Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.45Å; Q135-E139 PolarHBondContact NE2-OE1 3.41Å; Q135-E139 WeakPolarHBondContact O-CB 3.07Å; Q135-E139 WeakPolarHBondContact O-CG 3.13Å; Q135-E139 PolarHBondContact O-N 3.36Å; Y136-E139 PolarHBondContact O-N 3.25Å; E139-H143 WeakPolarHBondContact O-CB 3.42Å; E139-H143 PolarHBondContact O-CD2 3.46Å; E139-H143 PolarHBondContact O-N 2.8Å |
| 140 | L | 98.9 | Very high | 98.7 | Very high | 12 Ų | 12 | 46.6 Ų | 46.6 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.5 | -46.8 | 174.7 | 174.9 | 60 | 0 | 0 | 0 | 111.7 | I95 F112 Y136 Y137 D138 H143 L144 | I95-L140 HydrophobicContact CD1-CB 4.26Å; I95-L140 HydrophobicContact CG1-CD1 4.44Å; I95-L140 HydrophobicContact CG2-CD1 3.97Å; F112-L140 HydrophobicContact CD1-CD2 4.32Å; F112-L140 HydrophobicContact CD2-CD2 3.74Å; F112-L140 HydrophobicContact CE1-CD2 4.3Å; F112-L140 HydrophobicContact CE2-CD2 3.74Å; F112-L140 HydrophobicContact CG-CD2 4.04Å; F112-L140 HydrophobicContact CZ-CD2 4.02Å; F112-L140 HydrophobicContact CZ-CG 4.42Å; Y136-L140 PolarHBondContact O-N 2.95Å; Y137-L140 HydrophobicContact CD1-CD2 4.44Å; Y137-L140 PolarHBondContact O-N 3.29Å; D138-L140 PolarHBondContact O-N 3.06Å; L140-H143 PolarHBondContact O-N 3.5Å; L140-L144 HydrophobicContact CD1-CD1 4.21Å; L140-L144 HydrophobicContact CD1-CG 4.3Å; L140-L144 HydrophobicContact CG-CD1 4.16Å; L140-L144 VanDerWaalsContact O-CG 3.27Å; L140-L144 WeakPolarHBondContact O-CG 3.43Å; L140-L144 PolarHBondContact O-N 3.24Å |
| 141 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.9 | -44.1 | -179.6 | -71.9 | 163.5 | 0 | 0 | 0 | 110.7 | F112 Y137 D138 L144 L145 P151 F191 R194 V195 | F112-I141 HydrophobicContact CE1-CG1 4.49Å; F112-I141 HydrophobicContact CZ-CD1 4.32Å; F112-I141 HydrophobicContact CZ-CG1 3.79Å; Y137-I141 VanDerWaalsContact O-CB 3.32Å; Y137-I141 WeakPolarHBondContact O-CB 3.47Å; Y137-I141 WeakPolarHBondContact O-CD1 3.42Å; Y137-I141 WeakPolarHBondContact O-CG1 3.34Å; Y137-I141 PolarHBondContact O-N 3Å; D138-I141 PolarHBondContact O-N 3.24Å; I141-L144 PolarHBondContact O-N 2.94Å; I141-L145 HydrophobicContact CG2-CD1 4.03Å; I141-L145 WeakPolarHBondContact O-CG 3.45Å; I141-L145 PolarHBondContact O-N 2.69Å; I141-P151 HydrophobicContact CG2-CG 4.45Å; I141-F191 HydrophobicContact CD1-CB 3.81Å; I141-F191 HydrophobicContact CD1-CD1 3.75Å; I141-F191 HydrophobicContact CD1-CG 3.86Å; I141-R194 HydrophobicContact CG2-CB 3.9Å; I141-V195 HydrophobicContact CD1-CG2 3.71Å; I141-V195 HydrophobicContact CG1-CG2 4.16Å; I141-V195 HydrophobicContact CG2-CG2 4.27Å |
| 142 | D | 98.9 | Very high | 98.8 | Very high | 64 Ų | 64 | 44.2 Ų | 44.2 | 34% | 0.342 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.2 | -47.3 | 177.8 | -73.9 | -22.5 | 0 | 0 | 0 | 110.8 | D138 L144 L145 E146 R194 | D138-D142 WeakPolarHBondContact O-CB 3.43Å; D138-D142 PolarHBondContact O-N 2.59Å; D142-L144 VanDerWaalsContact C-N 3.3Å; D142-L144 PolarHBondContact O-N 2.8Å; D142-L145 PolarHBondContact O-N 3.12Å; D142-L145 VanDerWaalsContact O-N 3.15Å; D142-E146 WeakPolarHBondContact O-CB 3.33Å; D142-E146 VanDerWaalsContact O-CG 3.22Å; D142-E146 WeakPolarHBondContact O-CG 3.15Å; D142-E146 PolarHBondContact O-N 3.4Å; D142-R194 WeakPolarHBondContact OD1-CD 3.37Å; D142-R194 IonicContact OD1-CZ 3.72Å; D142-R194 IonicContact OD1-NE 2.7Å; D142-R194 IonicContact OD1-NH1 3.94Å; D142-R194 PolarHBondContact OD1-NH1 3Å; D142-R194 IonicContact OD2-NH1 3.89Å; D142-R194 PolarHBondContact OD2-NH1 3.41Å |
| 143 | H | 98.8 | Very high | 98.8 | Very high | 44 Ų | 44 | 39.2 Ų | 39.2 | 20% | 0.204 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.3 | -32.3 | 177.1 | -82.7 | -41.2 | 0 | 0 | 0 | 113.7 | I95 K96 I99 E139 L140 E146 N147 | I95-H143 HydrophobicContact CG2-CB 4.02Å; K96-H143 WeakPolarHBondContact CE-NE2 3.44Å; I99-H143 HydrophobicContact CD1-CB 4.35Å; I99-H143 HydrophobicContact CG1-CB 4.15Å; E139-H143 WeakPolarHBondContact O-CB 3.42Å; E139-H143 PolarHBondContact O-CD2 3.46Å; E139-H143 PolarHBondContact O-N 2.8Å; L140-H143 PolarHBondContact O-N 3.5Å; H143-E146 IonicContact CE1-OE2 2.94Å; H143-E146 IonicContact CG-OE2 2.76Å; H143-E146 IonicContact ND1-OE2 3.14Å; H143-E146 PolarHBondContact ND1-OE2 2.8Å; H143-N147 PolarHBondContact O-N 2.84Å; H143-N147 PolarHBondContact O-ND2 3.3Å |
| 144 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.2 | -51.1 | 171.4 | -74.8 | 166.7 | 0 | 0 | 0 | 110.9 | I99 M102 Y110 F112 L140 I141 D142 N147 H148 I149 P151 | I99-L144 HydrophobicContact CD1-CB 4.38Å; I99-L144 HydrophobicContact CD1-CD2 3.36Å; I99-L144 HydrophobicContact CD1-CG 3.67Å; M102-L144 HydrophobicContact SD-CD2 3.76Å; Y110-L144 HydrophobicContact CD1-CD1 4.14Å; Y110-L144 HydrophobicContact CD1-CD2 3.98Å; Y110-L144 HydrophobicContact CG-CD2 4.2Å; F112-L144 HydrophobicContact CD1-CD1 4.1Å; F112-L144 HydrophobicContact CE1-CD1 3.64Å; L140-L144 HydrophobicContact CD1-CD1 4.21Å; L140-L144 HydrophobicContact CD1-CG 4.3Å; L140-L144 HydrophobicContact CG-CD1 4.16Å; L140-L144 VanDerWaalsContact O-CG 3.27Å; L140-L144 WeakPolarHBondContact O-CG 3.43Å; L140-L144 PolarHBondContact O-N 3.24Å; I141-L144 PolarHBondContact O-N 2.94Å; D142-L144 VanDerWaalsContact C-N 3.3Å; D142-L144 PolarHBondContact O-N 2.8Å; L144-N147 CarbonylContact O-C 3.54Å; L144-N147 PolarHBondContact O-N 2.89Å; L144-N147 VanDerWaalsContact O-N 3.13Å; L144-H148 PolarHBondContact O-N 2.95Å; L144-I149 CarbonylContact C-O 3.5Å; L144-I149 HydrophobicContact CB-CB 4.39Å; L144-I149 HydrophobicContact CD2-CB 3.92Å; L144-I149 HydrophobicContact CD2-CD1 4.36Å; L144-I149 HydrophobicContact CD2-CG2 3.64Å; L144-I149 PolarHBondContact O-N 2.94Å; L144-P151 HydrophobicContact CD1-CB 4.05Å |
| 145 | L | 98.8 | Very high | 98.8 | Very high | 62 Ų | 62 | 38.3 Ų | 38.3 | 33% | 0.325 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -68.7 | -39.1 | -175.9 | -69.2 | 176 | 0 | 0 | 0 | 113.1 | I141 D142 N147 H148 P151 R194 | I141-L145 HydrophobicContact CG2-CD1 4.03Å; I141-L145 WeakPolarHBondContact O-CG 3.45Å; I141-L145 PolarHBondContact O-N 2.69Å; D142-L145 PolarHBondContact O-N 3.12Å; D142-L145 VanDerWaalsContact O-N 3.15Å; L145-N147 PolarHBondContact O-N 3.23Å; L145-N147 VanDerWaalsContact O-N 3.15Å; L145-H148 PolarHBondContact O-N 3.47Å; L145-P151 HydrophobicContact CD2-CG 4.3Å; L145-R194 HydrophobicContact CD1-CB 3.69Å; L145-R194 HydrophobicContact CD1-CG 3.73Å |
| 146 | E | 98.4 | Very high | 98.8 | Very high | 125 Ų | 125 | 34.6 Ų | 34.6 | 58% | 0.584 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -55.9 | -27.2 | 172 | -76.3 | 174 | 170.4 | 0 | 0 | 112.4 | D142 H143 | D142-E146 WeakPolarHBondContact O-CB 3.33Å; D142-E146 VanDerWaalsContact O-CG 3.22Å; D142-E146 WeakPolarHBondContact O-CG 3.15Å; D142-E146 PolarHBondContact O-N 3.4Å; H143-E146 IonicContact CE1-OE2 2.94Å; H143-E146 IonicContact CG-OE2 2.76Å; H143-E146 IonicContact ND1-OE2 3.14Å; H143-E146 PolarHBondContact ND1-OE2 2.8Å |
| 147 | N | 98.4 | Very high | 98.8 | Very high | 41 Ų | 41 | 34 Ų | 34 | 22% | 0.219 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 15.9 | 179.3 | -67.8 | -79.3 | 0 | 0 | 0 | 113 | I99 K103 H143 L144 L145 I149 | I99-N147 HydrophobicContact CG2-CB 4.16Å; K103-N147 HydrophobicContact CD-CB 3.95Å; K103-N147 WeakPolarHBondContact CD-OD1 3.4Å; K103-N147 WeakPolarHBondContact CE-OD1 3.15Å; K103-N147 HydrophobicContact CG-CB 4.07Å; K103-N147 PolarHBondContact NZ-OD1 2.47Å; H143-N147 PolarHBondContact O-N 2.84Å; H143-N147 PolarHBondContact O-ND2 3.3Å; L144-N147 CarbonylContact O-C 3.54Å; L144-N147 PolarHBondContact O-N 2.89Å; L144-N147 VanDerWaalsContact O-N 3.13Å; L145-N147 PolarHBondContact O-N 3.23Å; L145-N147 VanDerWaalsContact O-N 3.15Å; N147-I149 HydrophobicContact CB-CD1 4.29Å; N147-I149 PolarHBondContact O-N 3.2Å |
| 148 | H | 98.2 | Very high | 98.8 | Very high | 169 Ų | 169 | 34.9 Ų | 34.9 | 78% | 0.782 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 30.7 | 178.4 | -51.5 | -59.7 | 0 | 0 | 0 | 114.2 | L144 L145 | L144-H148 PolarHBondContact O-N 2.95Å; L145-H148 PolarHBondContact O-N 3.47Å |
| 149 | I | 98.8 | Very high | 98.8 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -102.4 | 120.7 | 174.3 | -57.7 | 163.5 | 0 | 0 | 0 | 107.8 | M102 K103 L144 N147 P151 | M102-I149 HydrophobicContact CB-CD1 3.6Å; M102-I149 HydrophobicContact SD-CD1 4.25Å; K103-I149 HydrophobicContact CG-CD1 4.38Å; L144-I149 CarbonylContact C-O 3.5Å; L144-I149 HydrophobicContact CB-CB 4.39Å; L144-I149 HydrophobicContact CD2-CB 3.92Å; L144-I149 HydrophobicContact CD2-CD1 4.36Å; L144-I149 HydrophobicContact CD2-CG2 3.64Å; L144-I149 PolarHBondContact O-N 2.94Å; N147-I149 HydrophobicContact CB-CD1 4.29Å; N147-I149 PolarHBondContact O-N 3.2Å; I149-P151 WeakPolarHBondContact O-CD 3.3Å |
| 150 | T | 98.9 | Very high | 98.8 | Very high | 57 Ų | 57 | 28.8 Ų | 28.8 | 35% | 0.35 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 125.4 | -179.8 | -59.6 | 0 | 0 | 0 | 0 | 110.3 | N108 H109 Y110 | N108-T150 PolarHBondContact O-N 2.82Å; H109-T150 CarbonylContact C-O 3.54Å; H109-T150 WeakPolarHBondContact CA-O 3.37Å; H109-T150 VanDerWaalsContact CB-O 3.26Å; H109-T150 WeakPolarHBondContact CB-O 3.38Å; Y110-T150 PolarHBondContact N-O 3.41Å |
| 151 | P | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.013 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 127 | 173.5 | 29.1 | -33.3 | 0 | 0 | 0 | 111 | F112 I141 L144 L145 I149 V153 V195 | F112-P151 HydrophobicContact CE1-CB 3.92Å; I141-P151 HydrophobicContact CG2-CG 4.45Å; L144-P151 HydrophobicContact CD1-CB 4.05Å; L145-P151 HydrophobicContact CD2-CG 4.3Å; I149-P151 WeakPolarHBondContact O-CD 3.3Å; P151-V153 HydrophobicContact CB-CG2 4.37Å; P151-V195 HydrophobicContact CB-CG2 4.31Å; P151-V195 HydrophobicContact CG-CG2 4.03Å |
| 152 | I | 98.9 | Very high | 98.7 | Very high | 6 Ų | 6 | 29.2 Ų | 29.2 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 112.1 | 164.7 | -55.8 | -172.3 | 0 | 0 | 0 | 107.7 | H109 Y110 R111 F112 H197 I199 | H109-I152 HydrophobicContact CB-CD1 4.11Å; H109-I152 HydrophobicContact CB-CG1 4.19Å; H109-I152 WeakPolarHBondContact CD2-CD1 3.27Å; Y110-I152 PolarHBondContact O-N 3.21Å; R111-I152 VanDerWaalsContact CA-O 3.26Å; R111-I152 WeakPolarHBondContact CA-O 3.32Å; R111-I152 HydrophobicContact CB-CB 4.21Å; R111-I152 HydrophobicContact CG-CB 4.41Å; R111-I152 HydrophobicContact CG-CG2 4.27Å; F112-I152 PolarHBondContact N-O 3.45Å; F112-I152 VanDerWaalsContact N-O 3.1Å; I152-H197 HydrophobicContact CB-CB 4.27Å; I152-H197 HydrophobicContact CG1-CB 3.97Å; I152-H197 HydrophobicContact CG2-CB 4.02Å; I152-I199 HydrophobicContact CG2-CD1 3.77Å; I152-I199 HydrophobicContact CG2-CG1 4.26Å |
| 153 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 125.9 | -168.7 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | F112 I114 P151 V195 H197 W198 I199 | F112-V153 HydrophobicContact CE1-CG2 3.82Å; F112-V153 HydrophobicContact CE2-CG2 4.17Å; F112-V153 HydrophobicContact CZ-CG2 3.57Å; I114-V153 HydrophobicContact CD1-CG1 3.56Å; I114-V153 HydrophobicContact CG1-CG1 3.74Å; P151-V153 HydrophobicContact CB-CG2 4.37Å; V153-V195 HydrophobicContact CB-CG1 3.89Å; V153-V195 HydrophobicContact CG2-CB 4.33Å; V153-V195 HydrophobicContact CG2-CG1 3.52Å; V153-V195 HydrophobicContact CG2-CG2 3.82Å; V153-H197 PolarHBondContact N-O 3.39Å; V153-W198 HydrophobicContact CB-CE3 3.81Å; V153-W198 HydrophobicContact CB-CZ3 3.81Å; V153-W198 HydrophobicContact CG1-CE3 3.85Å; V153-W198 HydrophobicContact CG1-CH2 4.44Å; V153-W198 HydrophobicContact CG1-CZ3 3.5Å; V153-W198 VanDerWaalsContact CG1-CZ3 3.5Å; V153-W198 CarbonylContact O-C 3.54Å; V153-W198 WeakPolarHBondContact O-CA 3.48Å; V153-I199 PolarHBondContact O-N 2.99Å |
| 154 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 123.3 | 170.5 | -54.6 | 0 | 0 | 0 | 0 | 109.9 | R111 F112 S113 I114 H157 I199 N202 | R111-T154 PolarHBondContact NE-OG1 2.97Å; F112-T154 PolarHBondContact O-N 3.15Å; S113-T154 CarbonylContact C-O 3.55Å; S113-T154 WeakPolarHBondContact CA-O 3.31Å; S113-T154 WeakPolarHBondContact CB-O 3.29Å; I114-T154 PolarHBondContact N-O 2.92Å; T154-H157 HydrophobicContact CG2-CB 4.19Å; T154-I199 CarbonylContact C-O 3.5Å; T154-I199 VanDerWaalsContact CA-O 3.31Å; T154-I199 WeakPolarHBondContact CA-O 3.34Å; T154-I199 HydrophobicContact CG2-CB 4.37Å; T154-I199 HydrophobicContact CG2-CG2 4.07Å; T154-N202 HydrophobicContact CG2-CB 4.01Å |
| 155 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | -44.8 | -179.2 | -66.9 | 171.1 | 0 | 0 | 0 | 111.6 | F180 F183 A184 C187 F188 W198 I199 V242 | L155-F180 HydrophobicContact CB-CE2 4.1Å; L155-F180 HydrophobicContact CB-CZ 3.88Å; L155-F183 HydrophobicContact CB-CE1 4.37Å; L155-F183 WeakPolarHBondContact O-CE1 3.32Å; L155-A184 HydrophobicContact CD1-CB 3.69Å; L155-C187 HydrophobicContact CD2-CB 3.58Å; L155-F188 HydrophobicContact CD1-CE1 4.07Å; L155-F188 HydrophobicContact CD1-CZ 4.04Å; L155-W198 HydrophobicContact CD1-CE3 4.5Å; L155-W198 HydrophobicContact CD2-CE3 3.82Å; L155-W198 HydrophobicContact CD2-CZ3 3.64Å; L155-W198 HydrophobicContact CG-CE3 4.09Å; L155-W198 HydrophobicContact CG-CZ3 4.41Å; L155-I199 PolarHBondContact N-O 2.88Å; L155-V242 HydrophobicContact CD1-CG1 4.13Å |
| 156 | Y | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 0% | 0.004 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 112.8 | 178.3 | -171.3 | -100.3 | 0 | 0 | 0 | 111.9 | W116 L160 W171 F180 T200 F201 N202 V207 | W116-Y156 HydrophobicContact CE3-CD2 4.01Å; W116-Y156 HydrophobicContact CE3-CE2 4.26Å; W116-Y156 HydrophobicContact CZ3-CD2 4.37Å; Y156-L160 HydrophobicContact CE2-CB 3.96Å; Y156-L160 HydrophobicContact CE2-CD1 4.18Å; Y156-W171 HydrophobicContact CD1-CZ2 4.42Å; Y156-W171 HydrophobicContact CD2-CZ2 4.28Å; Y156-W171 HydrophobicContact CE1-CZ2 4.18Å; Y156-W171 AromaticContact CE1-NE1 3.68Å; Y156-W171 HydrophobicContact CE2-CZ2 4.08Å; Y156-W171 HydrophobicContact CG-CZ2 4.43Å; Y156-W171 AromaticContact CZ-CE2 3.97Å; Y156-W171 AromaticContact CZ-NE1 3.32Å; Y156-W171 VanDerWaalsContact CZ-NE1 3.32Å; Y156-W171 PolarHBondContact OH-NE1 3.01Å; Y156-F180 HydrophobicContact CG-CE2 4.47Å; Y156-T200 WeakPolarHBondContact CB-O 3.24Å; Y156-T200 PolarHBondContact N-O 2.83Å; Y156-F201 AromaticContact CD1-CD1 3.48Å; Y156-F201 HydrophobicContact CD1-CD1 3.48Å; Y156-F201 VanDerWaalsContact CD1-CD1 3.48Å; Y156-F201 AromaticContact CD1-CE1 3.74Å; Y156-F201 HydrophobicContact CD1-CE1 3.74Å; Y156-F201 HydrophobicContact CE1-CD1 4.33Å; Y156-F201 HydrophobicContact CE1-CE1 4.4Å; Y156-F201 AromaticContact CG-CD1 3.97Å; Y156-F201 HydrophobicContact CG-CD1 3.97Å; Y156-F201 AromaticContact CG-CE1 3.97Å; Y156-F201 HydrophobicContact CG-CE1 3.97Å; Y156-N202 PolarHBondContact O-N 3.38Å; Y156-V207 HydrophobicContact CE1-CG1 4.16Å; Y156-V207 HydrophobicContact CE1-CG2 3.85Å |
| 157 | H | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -125.9 | 60.6 | 171.7 | -154.7 | 146.2 | 0 | 0 | 0 | 109.5 | S51 S113 T154 D159 N202 E414 W458 W466 | S51-H157 VanDerWaalsContact CB-ND1 3.29Å; S51-H157 WeakPolarHBondContact CB-ND1 3.3Å; S113-H157 WeakPolarHBondContact OG-CB 3.49Å; T154-H157 HydrophobicContact CG2-CB 4.19Å; H157-D159 VanDerWaalsContact C-N 3.28Å; H157-D159 PolarHBondContact O-N 3Å; H157-N202 HydrophobicContact CB-CB 4.41Å; H157-N202 PolarHBondContact CE1-ND2 2.84Å; H157-N202 PolarHBondContact NE2-ND2 2.97Å; H157-E414 IonicContact CE1-OE1 2.77Å; H157-E414 PolarHBondContact CE1-OE1 3.08Å; H157-W458 AromaticContact CE1-CH2 3.76Å; H157-W466 AromaticContact CD2-CZ2 3.76Å; H157-W466 AromaticContact NE2-CZ2 3.82Å |
| 158 | W | 98.6 | Very high | 98.6 | Very high | 18 Ų | 18 | 33.7 Ų | 33.7 | 7% | 0.068 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 73.5 | 0.2 | 165.2 | -45.5 | -11.5 | 0 | 0 | 0 | 116.7 | I68 W69 L160 N202 N203 V207 H217 W466 | I68-W158 WeakPolarHBondContact CD1-O 3.32Å; W69-W158 HydrophobicContact CZ2-CE3 4.38Å; W69-W158 PolarHBondContact NE1-O 3.2Å; W158-L160 PolarHBondContact O-N 2.99Å; W158-N202 PolarHBondContact NE1-O 2.81Å; W158-N203 HydrophobicContact CZ2-CB 3.89Å; W158-N203 PolarHBondContact NE1-O 2.9Å; W158-V207 HydrophobicContact CG-CG2 4.04Å; W158-H217 AromaticContact CZ3-CE1 3.74Å; W158-H217 AromaticContact CZ3-ND1 3.65Å; W158-W466 HydrophobicContact CB-CH2 4.15Å; W158-W466 HydrophobicContact CD2-CH2 4.24Å; W158-W466 AromaticContact CD2-CZ2 3.92Å; W158-W466 HydrophobicContact CD2-CZ2 3.92Å; W158-W466 AromaticContact CE3-CD2 3.69Å; W158-W466 HydrophobicContact CE3-CD2 3.69Å; W158-W466 AromaticContact CE3-CE2 3.25Å; W158-W466 HydrophobicContact CE3-CE3 4.09Å; W158-W466 HydrophobicContact CE3-CG 4.31Å; W158-W466 AromaticContact CE3-CH2 3.72Å; W158-W466 HydrophobicContact CE3-CH2 3.72Å; W158-W466 AromaticContact CE3-CZ2 3.28Å; W158-W466 HydrophobicContact CE3-CZ2 3.28Å; W158-W466 HydrophobicContact CE3-CZ3 4.11Å; W158-W466 AromaticContact CE3-NE1 3.68Å; W158-W466 HydrophobicContact CG-CH2 4.47Å; W158-W466 AromaticContact CH2-NE1 3.79Å; W158-W466 AromaticContact CZ3-CD1 3.55Å; W158-W466 AromaticContact CZ3-CD2 3.71Å; W158-W466 HydrophobicContact CZ3-CD2 3.71Å; W158-W466 AromaticContact CZ3-CE2 3.22Å; W158-W466 AromaticContact CZ3-CG 3.88Å; W158-W466 HydrophobicContact CZ3-CG 3.88Å; W158-W466 AromaticContact CZ3-CZ2 3.7Å; W158-W466 HydrophobicContact CZ3-CZ2 3.7Å; W158-W466 AromaticContact CZ3-NE1 3.1Å |
| 159 | D | 98.3 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -97.6 | 51.4 | -175.1 | 67 | -28.5 | 0 | 0 | 0 | 113.3 | S115 P117 H157 | S115-D159 WeakPolarHBondContact CA-OD2 3.28Å; S115-D159 WeakPolarHBondContact CB-OD2 3.34Å; S115-D159 PolarHBondContact OG-OD2 3.48Å; P117-D159 WeakPolarHBondContact CD-O 3.19Å; P117-D159 WeakPolarHBondContact CG-O 3.19Å; H157-D159 VanDerWaalsContact C-N 3.28Å; H157-D159 PolarHBondContact O-N 3Å | ||
| 160 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -52.3 | 136 | 178.7 | -173.1 | 70.8 | 0 | 0 | 0 | 111.4 | S67 I68 W116 Y156 W158 Q162 L164 Q165 M176 | S67-L160 CarbonylContact C-O 3.56Å; S67-L160 VanDerWaalsContact CA-O 3.24Å; S67-L160 WeakPolarHBondContact CA-O 3.5Å; I68-L160 HydrophobicContact CD1-CB 3.91Å; I68-L160 HydrophobicContact CG1-CB 4.05Å; I68-L160 HydrophobicContact CG2-CB 4.04Å; I68-L160 HydrophobicContact CG2-CD2 4.37Å; I68-L160 PolarHBondContact N-O 3.25Å; W116-L160 HydrophobicContact CE3-CD1 4Å; W116-L160 HydrophobicContact CH2-CD1 4.22Å; W116-L160 HydrophobicContact CZ3-CD1 3.6Å; Y156-L160 HydrophobicContact CE2-CB 3.96Å; Y156-L160 HydrophobicContact CE2-CD1 4.18Å; W158-L160 PolarHBondContact O-N 2.99Å; L160-Q162 PolarHBondContact O-N 2.97Å; L160-L164 HydrophobicContact CD1-CB 4.37Å; L160-L164 HydrophobicContact CD1-CD1 4.08Å; L160-L164 HydrophobicContact CG-CB 4.37Å; L160-Q165 HydrophobicContact CD2-CB 4.19Å; L160-M176 HydrophobicContact CD1-SD 4.42Å | ||
| 161 | P | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.115 | C | C | . | . | B | Isolated β-bridge | trans | -56.4 | 127.7 | 170.5 | -24.9 | 34 | 0 | 0 | 0 | 111.4 | L66 W116 P117 V163 L164 Q165 | L66-P161 CarbonylContact O-C 3.17Å; L66-P161 WeakPolarHBondContact O-CA 3.36Å; W116-P161 HydrophobicContact CB-CG 4.12Å; W116-P161 HydrophobicContact CD2-CG 3.89Å; W116-P161 HydrophobicContact CG-CG 3.63Å; P117-P161 HydrophobicContact CB-CB 4.18Å; P117-P161 HydrophobicContact CB-CG 4.08Å; P161-V163 PolarHBondContact O-N 3.18Å; P161-L164 HydrophobicContact CB-CD1 4.47Å; P161-L164 HydrophobicContact CB-CG 4.3Å; P161-L164 HydrophobicContact CG-CD1 4.28Å; P161-L164 WeakPolarHBondContact O-CB 3.46Å; P161-L164 PolarHBondContact O-N 2.8Å; P161-Q165 PolarHBondContact O-N 2.89Å |
| 162 | Q | 98.8 | Very high | 98.5 | Very high | 21 Ų | 21 | 25.4 Ų | 25.4 | 10% | 0.098 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.8 | -36.5 | -176.4 | 179.1 | 64.3 | 13.6 | 0 | 0 | 111.9 | L66 V71 L160 L164 Q165 E166 | L66-Q162 HydrophobicContact CB-CB 3.82Å; L66-Q162 WeakPolarHBondContact O-CB 3.45Å; L66-Q162 PolarHBondContact O-N 2.85Å; V71-Q162 HydrophobicContact CG2-CB 4.32Å; V71-Q162 HydrophobicContact CG2-CG 3.72Å; L160-Q162 PolarHBondContact O-N 2.97Å; Q162-L164 PolarHBondContact O-N 2.79Å; Q162-Q165 WeakPolarHBondContact O-CA 3.28Å; Q162-Q165 WeakPolarHBondContact O-CB 3.22Å; Q162-Q165 PolarHBondContact O-N 2.84Å; Q162-E166 HydrophobicContact CG-CG 4.15Å; Q162-E166 WeakPolarHBondContact CG-OE1 3.35Å; Q162-E166 VanDerWaalsContact NE2-CG 3.34Å; Q162-E166 PolarHBondContact NE2-OE1 3.1Å; Q162-E166 PolarHBondContact O-N 2.74Å |
| 163 | V | 98.5 | Very high | 98.5 | Very high | 37 Ų | 37 | 27.7 Ų | 27.7 | 22% | 0.224 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.5 | -37.2 | 177.2 | 176 | 0 | 0 | 0 | 0 | 111.8 | T122 P161 K167 | T122-V163 WeakPolarHBondContact O-CB 3Å; P161-V163 PolarHBondContact O-N 3.18Å; V163-K167 HydrophobicContact CG1-CD 3.72Å; V163-K167 HydrophobicContact CG1-CG 4.21Å; V163-K167 VanDerWaalsContact O-CB 3.31Å; V163-K167 WeakPolarHBondContact O-CB 3.14Å; V163-K167 WeakPolarHBondContact O-CG 3.35Å; V163-K167 PolarHBondContact O-N 2.89Å |
| 164 | L | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.9 | -36.6 | 176.6 | -64.2 | -176.3 | 0 | 0 | 0 | 111.9 | W116 V124 L160 P161 Q162 Y168 G169 G170 M176 H179 | W116-L164 HydrophobicContact CH2-CD1 3.66Å; W116-L164 HydrophobicContact CZ2-CD1 3.5Å; W116-L164 HydrophobicContact CZ3-CD1 4.37Å; V124-L164 HydrophobicContact CG2-CD2 3.95Å; L160-L164 HydrophobicContact CD1-CB 4.37Å; L160-L164 HydrophobicContact CD1-CD1 4.08Å; L160-L164 HydrophobicContact CG-CB 4.37Å; P161-L164 HydrophobicContact CB-CD1 4.47Å; P161-L164 HydrophobicContact CB-CG 4.3Å; P161-L164 HydrophobicContact CG-CD1 4.28Å; P161-L164 WeakPolarHBondContact O-CB 3.46Å; P161-L164 PolarHBondContact O-N 2.8Å; Q162-L164 PolarHBondContact O-N 2.79Å; L164-Y168 HydrophobicContact CD2-CD2 3.89Å; L164-Y168 HydrophobicContact CD2-CE2 3.9Å; L164-Y168 WeakPolarHBondContact O-CB 3.3Å; L164-Y168 PolarHBondContact O-N 3.48Å; L164-G169 PolarHBondContact O-N 2.91Å; L164-G170 PolarHBondContact O-N 2.82Å; L164-M176 HydrophobicContact CB-CE 4.12Å; L164-M176 HydrophobicContact CB-SD 3.92Å; L164-M176 HydrophobicContact CD1-SD 4.06Å; L164-M176 HydrophobicContact CD2-CE 4.33Å; L164-M176 HydrophobicContact CG-SD 4.46Å; L164-H179 HydrophobicContact CD1-CB 4.11Å; L164-H179 HydrophobicContact CD2-CB 4.46Å |
| 165 | Q | 98.6 | Very high | 98.4 | Very high | 23 Ų | 23 | 32.6 Ų | 32.6 | 11% | 0.107 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.7 | -43.7 | 175 | -176.6 | 54.2 | 62.5 | 0 | 0 | 111.7 | I68 L160 P161 Q162 G169 Y212 P219 | I68-Q165 HydrophobicContact CG2-CB 3.62Å; I68-Q165 HydrophobicContact CG2-CG 3.93Å; L160-Q165 HydrophobicContact CD2-CB 4.19Å; P161-Q165 PolarHBondContact O-N 2.89Å; Q162-Q165 WeakPolarHBondContact O-CA 3.28Å; Q162-Q165 WeakPolarHBondContact O-CB 3.22Å; Q162-Q165 PolarHBondContact O-N 2.84Å; Q165-G169 PolarHBondContact NE2-O 2.84Å; Q165-G169 VanDerWaalsContact NE2-O 3.12Å; Q165-G169 CarbonylContact O-C 3.59Å; Q165-G169 WeakPolarHBondContact O-CA 3.47Å; Q165-G169 PolarHBondContact O-N 3.27Å; Q165-Y212 PolarHBondContact OE1-OH 3.06Å; Q165-P219 HydrophobicContact CG-CB 3.9Å; Q165-P219 HydrophobicContact CG-CG 4.49Å |
| 166 | E | 98.1 | Very high | 98.4 | Very high | 135 Ų | 135 | 32.6 Ų | 32.6 | 63% | 0.631 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -75.2 | -47.4 | -176.9 | -70.8 | 176.8 | 173.3 | 0 | 0 | 113.1 | Q162 | Q162-E166 HydrophobicContact CG-CG 4.15Å; Q162-E166 WeakPolarHBondContact CG-OE1 3.35Å; Q162-E166 VanDerWaalsContact NE2-CG 3.34Å; Q162-E166 PolarHBondContact NE2-OE1 3.1Å; Q162-E166 PolarHBondContact O-N 2.74Å |
| 167 | K | 97.4 | Very high | 98.4 | Very high | 146 Ų | 146 | 33.2 Ų | 33.2 | 64% | 0.635 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -76.6 | -35.7 | -174.9 | -68.6 | -173.6 | 178.1 | 177.6 | 0 | 113.1 | V163 | V163-K167 HydrophobicContact CG1-CD 3.72Å; V163-K167 HydrophobicContact CG1-CG 4.21Å; V163-K167 VanDerWaalsContact O-CB 3.31Å; V163-K167 WeakPolarHBondContact O-CB 3.14Å; V163-K167 WeakPolarHBondContact O-CG 3.35Å; V163-K167 PolarHBondContact O-N 2.89Å |
| 168 | Y | 97.1 | Very high | 98.4 | Very high | 89 Ų | 89 | 37 Ų | 37 | 35% | 0.349 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -115.5 | -15.8 | -172 | -56.5 | -73.8 | 0 | 0 | 0 | 113.5 | L164 N173 M176 H179 | L164-Y168 HydrophobicContact CD2-CD2 3.89Å; L164-Y168 HydrophobicContact CD2-CE2 3.9Å; L164-Y168 WeakPolarHBondContact O-CB 3.3Å; L164-Y168 PolarHBondContact O-N 3.48Å; Y168-N173 WeakPolarHBondContact O-CB 3.5Å; Y168-N173 PolarHBondContact O-ND2 3.5Å; Y168-M176 HydrophobicContact CD2-CE 3.93Å; Y168-M176 HydrophobicContact CG-CE 3.95Å; Y168-H179 AromaticContact CE2-NE2 3.81Å; Y168-H179 AromaticContact CZ-NE2 3.94Å |
| 169 | G | 97.2 | Very high | 98.4 | Very high | 25 Ų | 25 | 37.3 Ų | 37.3 | 26% | 0.258 | 19% | 0.188 | S | C | . | . | trans | 91.7 | 10.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L164 Q165 Q172 | L164-G169 PolarHBondContact O-N 2.91Å; Q165-G169 PolarHBondContact NE2-O 2.84Å; Q165-G169 VanDerWaalsContact NE2-O 3.12Å; Q165-G169 CarbonylContact O-C 3.59Å; Q165-G169 WeakPolarHBondContact O-CA 3.47Å; Q165-G169 PolarHBondContact O-N 3.27Å; G169-Q172 PolarHBondContact O-N 2.95Å | ||
| 170 | G | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | 60 | -139.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | L164 Q172 N173 M176 | L164-G170 PolarHBondContact O-N 2.82Å; G170-Q172 PolarHBondContact O-N 3.48Å; G170-N173 PolarHBondContact O-N 3.27Å; G170-M176 WeakPolarHBondContact O-CG 3.38Å |
| 171 | W | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -63.4 | -8.7 | -176.1 | -64.1 | 110.1 | 0 | 0 | 0 | 114.6 | W116 Y156 N173 M176 F180 F201 V207 Y212 A231 H234 I235 A238 | W116-W171 HydrophobicContact CZ3-CZ2 4.44Å; Y156-W171 HydrophobicContact CD1-CZ2 4.42Å; Y156-W171 HydrophobicContact CD2-CZ2 4.28Å; Y156-W171 HydrophobicContact CE1-CZ2 4.18Å; Y156-W171 AromaticContact CE1-NE1 3.68Å; Y156-W171 HydrophobicContact CE2-CZ2 4.08Å; Y156-W171 HydrophobicContact CG-CZ2 4.43Å; Y156-W171 AromaticContact CZ-CE2 3.97Å; Y156-W171 AromaticContact CZ-NE1 3.32Å; Y156-W171 VanDerWaalsContact CZ-NE1 3.32Å; Y156-W171 PolarHBondContact OH-NE1 3.01Å; W171-N173 PolarHBondContact O-N 2.69Å; W171-M176 HydrophobicContact CD2-CB 4.43Å; W171-M176 HydrophobicContact CE3-CB 3.71Å; W171-M176 HydrophobicContact CE3-CG 4.25Å; W171-M176 HydrophobicContact CH2-CB 4.37Å; W171-M176 HydrophobicContact CZ3-CB 3.69Å; W171-F180 HydrophobicContact CH2-CB 3.98Å; W171-F180 HydrophobicContact CH2-CD1 4.49Å; W171-F180 HydrophobicContact CH2-CD2 4.48Å; W171-F180 HydrophobicContact CH2-CG 4.06Å; W171-F201 AromaticContact CH2-CE1 3.47Å; W171-F201 HydrophobicContact CH2-CE1 3.47Å; W171-F201 VanDerWaalsContact CH2-CE1 3.47Å; W171-F201 AromaticContact CH2-CZ 3.45Å; W171-F201 HydrophobicContact CH2-CZ 3.45Å; W171-F201 VanDerWaalsContact CH2-CZ 3.45Å; W171-F201 AromaticContact CZ2-CE1 3.5Å; W171-F201 HydrophobicContact CZ2-CE1 3.5Å; W171-F201 HydrophobicContact CZ2-CZ 4.01Å; W171-F201 HydrophobicContact CZ3-CE1 4.23Å; W171-F201 HydrophobicContact CZ3-CZ 4.03Å; W171-V207 HydrophobicContact CG-CG1 4.47Å; W171-Y212 HydrophobicContact CB-CE2 3.79Å; W171-Y212 AromaticContact CD1-CE2 3.89Å; W171-Y212 HydrophobicContact CG-CE2 4.26Å; W171-Y212 PolarHBondContact N-OH 3.27Å; W171-A231 HydrophobicContact CB-CB 3.88Å; W171-A231 WeakPolarHBondContact O-CA 3.39Å; W171-H234 HydrophobicContact CE3-CB 4.48Å; W171-H234 PolarHBondContact O-ND1 3.38Å; W171-I235 HydrophobicContact CD2-CD1 4.19Å; W171-I235 HydrophobicContact CD2-CG1 3.63Å; W171-I235 HydrophobicContact CE3-CG1 3.54Å; W171-I235 HydrophobicContact CG-CD1 4.18Å; W171-I235 HydrophobicContact CG-CG1 4.08Å; W171-I235 HydrophobicContact CZ3-CG1 4.02Å; W171-A238 HydrophobicContact CH2-CB 4.33Å; W171-A238 HydrophobicContact CZ3-CB 3.9Å |
| 172 | Q | 98.4 | Very high | 98.4 | Very high | 31 Ų | 31 | 40.8 Ų | 40.8 | 15% | 0.145 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -69.6 | -10.9 | 167.9 | -63.5 | -58.4 | -60.8 | 0 | 0 | 113.3 | G169 G170 Y212 L223 G227 R230 H234 | G169-Q172 PolarHBondContact O-N 2.95Å; G170-Q172 PolarHBondContact O-N 3.48Å; Q172-Y212 HydrophobicContact CG-CD1 3.59Å; Q172-Y212 HydrophobicContact CG-CE1 3.71Å; Q172-Y212 VanDerWaalsContact NE2-CD1 3.31Å; Q172-L223 HydrophobicContact CG-CD1 4.07Å; Q172-G227 PolarHBondContact NE2-O 3.28Å; Q172-R230 VanDerWaalsContact O-CD 3.24Å; Q172-R230 WeakPolarHBondContact O-CD 3.43Å; Q172-H234 PolarHBondContact O-CE1 3.01Å |
| 173 | N | 98.4 | Very high | 98.4 | Very high | 55 Ų | 55 | 39.8 Ų | 39.8 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -117.4 | 133.6 | -176.2 | -166.1 | -41.6 | 0 | 0 | 0 | 112.2 | Y168 G170 W171 S175 M176 | Y168-N173 WeakPolarHBondContact O-CB 3.5Å; Y168-N173 PolarHBondContact O-ND2 3.5Å; G170-N173 PolarHBondContact O-N 3.27Å; W171-N173 PolarHBondContact O-N 2.69Å; N173-S175 PolarHBondContact O-N 3.04Å; N173-S175 PolarHBondContact OD1-N 2.88Å; N173-S175 PolarHBondContact OD1-OG 2.88Å; N173-M176 WeakPolarHBondContact O-CB 3.41Å; N173-M176 WeakPolarHBondContact O-CG 3.43Å; N173-M176 PolarHBondContact O-N 2.89Å |
| 174 | I | 98.4 | Very high | 98.5 | Very high | 79 Ų | 79 | 38 Ų | 38 | 41% | 0.405 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -24.2 | -179 | -171.1 | 62.6 | 0 | 0 | 0 | 112.9 | M176 V177 H234 K237 | I174-M176 PolarHBondContact O-N 3.27Å; I174-M176 VanDerWaalsContact O-N 3.12Å; I174-V177 HydrophobicContact CD1-CG2 3.78Å; I174-V177 WeakPolarHBondContact O-CB 3.37Å; I174-V177 WeakPolarHBondContact O-CG2 2.99Å; I174-V177 PolarHBondContact O-N 2.97Å; I174-V177 VanDerWaalsContact O-N 3.08Å; I174-H234 WeakPolarHBondContact CD1-CD2 3.31Å; I174-H234 PolarHBondContact N-CE1 3.3Å; I174-K237 HydrophobicContact CD1-CD 4.04Å |
| 175 | S | 98.4 | Very high | 98.5 | Very high | 24 Ų | 24 | 39.2 Ų | 39.2 | 17% | 0.168 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -23.8 | 177.6 | 66.8 | 0 | 0 | 0 | 0 | 113 | N173 V177 N178 H179 | N173-S175 PolarHBondContact O-N 3.04Å; N173-S175 PolarHBondContact OD1-N 2.88Å; N173-S175 PolarHBondContact OD1-OG 2.88Å; S175-V177 PolarHBondContact O-N 3.46Å; S175-N178 PolarHBondContact O-N 3Å; S175-H179 PolarHBondContact O-CD2 3Å; S175-H179 PolarHBondContact O-N 2.94Å |
| 176 | M | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.1 | -28.7 | 176.1 | -67.3 | -53.1 | 104.5 | 0 | 0 | 112.9 | L160 L164 Y168 G170 W171 N173 I174 N178 H179 F180 | L160-M176 HydrophobicContact CD1-SD 4.42Å; L164-M176 HydrophobicContact CB-CE 4.12Å; L164-M176 HydrophobicContact CB-SD 3.92Å; L164-M176 HydrophobicContact CD1-SD 4.06Å; L164-M176 HydrophobicContact CD2-CE 4.33Å; L164-M176 HydrophobicContact CG-SD 4.46Å; Y168-M176 HydrophobicContact CD2-CE 3.93Å; Y168-M176 HydrophobicContact CG-CE 3.95Å; G170-M176 WeakPolarHBondContact O-CG 3.38Å; W171-M176 HydrophobicContact CD2-CB 4.43Å; W171-M176 HydrophobicContact CE3-CB 3.71Å; W171-M176 HydrophobicContact CE3-CG 4.25Å; W171-M176 HydrophobicContact CH2-CB 4.37Å; W171-M176 HydrophobicContact CZ3-CB 3.69Å; N173-M176 WeakPolarHBondContact O-CB 3.41Å; N173-M176 WeakPolarHBondContact O-CG 3.43Å; N173-M176 PolarHBondContact O-N 2.89Å; I174-M176 PolarHBondContact O-N 3.27Å; I174-M176 VanDerWaalsContact O-N 3.12Å; M176-N178 PolarHBondContact O-N 3.42Å; M176-H179 PolarHBondContact O-N 3.45Å; M176-F180 WeakPolarHBondContact O-CB 3.27Å; M176-F180 PolarHBondContact O-N 3.18Å |
| 177 | V | 98.9 | Very high | 98.5 | Very high | 14 Ų | 14 | 32 Ų | 32 | 9% | 0.085 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.8 | -39.6 | 174.7 | 172.7 | 0 | 0 | 0 | 0 | 111 | I174 S175 N181 K237 A238 K241 | I174-V177 HydrophobicContact CD1-CG2 3.78Å; I174-V177 WeakPolarHBondContact O-CB 3.37Å; I174-V177 WeakPolarHBondContact O-CG2 2.99Å; I174-V177 PolarHBondContact O-N 2.97Å; I174-V177 VanDerWaalsContact O-N 3.08Å; S175-V177 PolarHBondContact O-N 3.46Å; V177-N181 VanDerWaalsContact O-CB 3.3Å; V177-N181 WeakPolarHBondContact O-CB 3.47Å; V177-N181 PolarHBondContact O-N 2.77Å; V177-K237 HydrophobicContact CG2-CB 3.86Å; V177-A238 HydrophobicContact CB-CB 4.46Å; V177-A238 HydrophobicContact CG2-CB 4.17Å; V177-K241 HydrophobicContact CG1-CB 4.09Å; V177-K241 HydrophobicContact CG1-CD 3.61Å; V177-K241 HydrophobicContact CG1-CG 4.47Å |
| 178 | N | 98.8 | Very high | 98.6 | Very high | 80 Ų | 80 | 25 Ų | 25 | 43% | 0.428 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -79.6 | -47.7 | 179.9 | -65.5 | -22.9 | 0 | 0 | 0 | 111.5 | S175 M176 F180 N181 D182 K241 | S175-N178 PolarHBondContact O-N 3Å; M176-N178 PolarHBondContact O-N 3.42Å; N178-F180 VanDerWaalsContact C-N 3.31Å; N178-F180 PolarHBondContact O-N 3.41Å; N178-N181 WeakPolarHBondContact O-CB 3.36Å; N178-N181 PolarHBondContact O-N 3.19Å; N178-N181 VanDerWaalsContact O-N 3.11Å; N178-D182 PolarHBondContact O-N 3.34Å; N178-K241 PolarHBondContact OD1-NZ 3.19Å |
| 179 | H | 98.8 | Very high | 98.7 | Very high | 24 Ų | 24 | 24.7 Ų | 24.7 | 11% | 0.111 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.7 | -42.8 | 179.7 | -66.8 | -55.4 | 0 | 0 | 0 | 112.1 | W116 L164 Y168 S175 M176 N181 D182 F183 | W116-H179 HydrophobicContact CH2-CB 4.11Å; W116-H179 VanDerWaalsContact CZ2-C 3.42Å; W116-H179 HydrophobicContact CZ2-CB 3.9Å; W116-H179 VanDerWaalsContact CZ2-O 3.29Å; W116-H179 WeakPolarHBondContact CZ2-O 3.1Å; L164-H179 HydrophobicContact CD1-CB 4.11Å; L164-H179 HydrophobicContact CD2-CB 4.46Å; Y168-H179 AromaticContact CE2-NE2 3.81Å; Y168-H179 AromaticContact CZ-NE2 3.94Å; S175-H179 PolarHBondContact O-CD2 3Å; S175-H179 PolarHBondContact O-N 2.94Å; M176-H179 PolarHBondContact O-N 3.45Å; H179-N181 VanDerWaalsContact C-N 3.34Å; H179-N181 PolarHBondContact O-N 3.29Å; H179-D182 PolarHBondContact O-N 3.35Å; H179-F183 PolarHBondContact O-N 2.98Å; H179-F183 VanDerWaalsContact O-N 3.1Å |
| 180 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.8 | -39.2 | 176.7 | -176.8 | -116.3 | 0 | 0 | 0 | 111.7 | W116 L155 Y156 W171 M176 N178 F183 A184 T200 F201 A238 V242 | W116-F180 HydrophobicContact CE3-CD2 4.03Å; W116-F180 HydrophobicContact CH2-CB 3.67Å; W116-F180 HydrophobicContact CH2-CD2 4.02Å; W116-F180 HydrophobicContact CH2-CG 4.36Å; W116-F180 VanDerWaalsContact CH2-N 3.35Å; W116-F180 HydrophobicContact CZ3-CB 3.99Å; W116-F180 AromaticContact CZ3-CD2 3.58Å; W116-F180 HydrophobicContact CZ3-CD2 3.58Å; W116-F180 HydrophobicContact CZ3-CG 4.25Å; L155-F180 HydrophobicContact CB-CE2 4.1Å; L155-F180 HydrophobicContact CB-CZ 3.88Å; Y156-F180 HydrophobicContact CG-CE2 4.47Å; W171-F180 HydrophobicContact CH2-CB 3.98Å; W171-F180 HydrophobicContact CH2-CD1 4.49Å; W171-F180 HydrophobicContact CH2-CD2 4.48Å; W171-F180 HydrophobicContact CH2-CG 4.06Å; M176-F180 WeakPolarHBondContact O-CB 3.27Å; M176-F180 PolarHBondContact O-N 3.18Å; N178-F180 VanDerWaalsContact C-N 3.31Å; N178-F180 PolarHBondContact O-N 3.41Å; F180-F183 HydrophobicContact CD2-CD1 4.14Å; F180-F183 HydrophobicContact CE2-CD1 4.07Å; F180-F183 HydrophobicContact CE2-CE1 4.43Å; F180-F183 PolarHBondContact O-N 2.9Å; F180-A184 WeakPolarHBondContact O-CB 3.27Å; F180-A184 PolarHBondContact O-N 3.05Å; F180-T200 WeakPolarHBondContact CZ-O 3.32Å; F180-F201 AromaticContact CD1-CE2 3.84Å; F180-F201 HydrophobicContact CD1-CE2 3.84Å; F180-F201 AromaticContact CD1-CZ 3.56Å; F180-F201 HydrophobicContact CD1-CZ 3.56Å; F180-F201 HydrophobicContact CE1-CD2 4.18Å; F180-F201 HydrophobicContact CE1-CE1 4.29Å; F180-F201 AromaticContact CE1-CE2 3.33Å; F180-F201 HydrophobicContact CE1-CE2 3.33Å; F180-F201 AromaticContact CE1-CZ 3.39Å; F180-F201 HydrophobicContact CE1-CZ 3.39Å; F180-F201 HydrophobicContact CE2-CZ 4.48Å; F180-F201 HydrophobicContact CG-CZ 4.16Å; F180-F201 HydrophobicContact CZ-CE1 4.38Å; F180-F201 AromaticContact CZ-CE2 4Å; F180-F201 HydrophobicContact CZ-CE2 4Å; F180-F201 AromaticContact CZ-CZ 3.9Å; F180-F201 HydrophobicContact CZ-CZ 3.9Å; F180-A238 HydrophobicContact CD1-CB 3.94Å; F180-V242 HydrophobicContact CD1-CG2 3.64Å; F180-V242 HydrophobicContact CE1-CB 4.47Å; F180-V242 HydrophobicContact CE1-CG2 3.64Å |
| 181 | N | 98.9 | Very high | 98.8 | Very high | 11 Ų | 11 | 27.1 Ų | 27.1 | 6% | 0.059 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.8 | -38.6 | 175.3 | -173.6 | 78.7 | 0 | 0 | 0 | 112.8 | V177 N178 H179 F183 A184 N185 K241 V242 T245 | V177-N181 VanDerWaalsContact O-CB 3.3Å; V177-N181 WeakPolarHBondContact O-CB 3.47Å; V177-N181 PolarHBondContact O-N 2.77Å; N178-N181 WeakPolarHBondContact O-CB 3.36Å; N178-N181 PolarHBondContact O-N 3.19Å; N178-N181 VanDerWaalsContact O-N 3.11Å; H179-N181 VanDerWaalsContact C-N 3.34Å; H179-N181 PolarHBondContact O-N 3.29Å; N181-F183 VanDerWaalsContact C-N 3.33Å; N181-A184 PolarHBondContact O-N 3.44Å; N181-N185 WeakPolarHBondContact O-CB 3.36Å; N181-N185 PolarHBondContact O-N 3.33Å; N181-K241 HydrophobicContact CB-CD 3.9Å; N181-K241 HydrophobicContact CB-CG 4.1Å; N181-K241 PolarHBondContact OD1-O 2.88Å; N181-V242 HydrophobicContact CB-CG2 4.28Å; N181-T245 PolarHBondContact ND2-OG1 3.4Å; N181-T245 WeakPolarHBondContact OD1-CB 3.44Å; N181-T245 PolarHBondContact OD1-OG1 2.78Å |
| 182 | D | 98.9 | Very high | 98.8 | Very high | 62 Ų | 62 | 27.1 Ų | 27.1 | 33% | 0.332 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -65 | -40.1 | 177.3 | -67.6 | -22.2 | 0 | 0 | 0 | 111.7 | K125 N178 H179 L186 | K125-D182 HydrophobicContact CB-CB 4.08Å; K125-D182 HydrophobicContact CD-CB 4.3Å; N178-D182 PolarHBondContact O-N 3.34Å; H179-D182 PolarHBondContact O-N 3.35Å; D182-L186 WeakPolarHBondContact O-CB 3.35Å; D182-L186 PolarHBondContact O-N 3.24Å |
| 183 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.8 | -49.1 | 173.3 | 169.1 | -113.5 | 0 | 0 | 0 | 112.3 | I114 W116 I119 I120 L155 H179 F180 N181 N185 L186 C187 | I114-F183 HydrophobicContact CB-CZ 4.36Å; I114-F183 HydrophobicContact CG2-CE2 4.12Å; I114-F183 HydrophobicContact CG2-CZ 3.78Å; W116-F183 HydrophobicContact CB-CD1 4.24Å; W116-F183 HydrophobicContact CB-CD2 4.39Å; W116-F183 HydrophobicContact CB-CE1 3.94Å; W116-F183 HydrophobicContact CB-CE2 4.11Å; W116-F183 HydrophobicContact CB-CG 4.45Å; W116-F183 HydrophobicContact CB-CZ 3.86Å; W116-F183 AromaticContact CD1-CD2 3.44Å; W116-F183 VanDerWaalsContact CD1-CD2 3.44Å; W116-F183 AromaticContact CD1-CE2 3.96Å; W116-F183 AromaticContact CD1-CG 3.51Å; W116-F183 HydrophobicContact CD2-CB 4.19Å; W116-F183 AromaticContact CD2-CD1 3.84Å; W116-F183 HydrophobicContact CD2-CD1 3.84Å; W116-F183 HydrophobicContact CD2-CE1 4.38Å; W116-F183 AromaticContact CD2-CG 3.93Å; W116-F183 HydrophobicContact CD2-CG 3.93Å; W116-F183 AromaticContact CE2-CG 3.85Å; W116-F183 HydrophobicContact CE3-CD1 4.29Å; W116-F183 HydrophobicContact CG-CB 4.38Å; W116-F183 AromaticContact CG-CD1 3.82Å; W116-F183 HydrophobicContact CG-CD1 3.82Å; W116-F183 AromaticContact CG-CD2 3.91Å; W116-F183 HydrophobicContact CG-CD2 3.91Å; W116-F183 HydrophobicContact CG-CE1 4.04Å; W116-F183 HydrophobicContact CG-CE2 4.14Å; W116-F183 AromaticContact CG-CG 3.75Å; W116-F183 HydrophobicContact CG-CG 3.75Å; W116-F183 HydrophobicContact CG-CZ 4.19Å; W116-F183 HydrophobicContact CZ2-CB 4Å; W116-F183 AromaticContact NE1-CD2 3.89Å; W116-F183 AromaticContact NE1-CG 3.6Å; I119-F183 HydrophobicContact CB-CE2 3.95Å; I119-F183 HydrophobicContact CG1-CE2 4.23Å; I119-F183 HydrophobicContact CG2-CD2 4.5Å; I119-F183 HydrophobicContact CG2-CE2 4.25Å; I120-F183 HydrophobicContact CD1-CB 3.95Å; I120-F183 HydrophobicContact CD1-CD2 3.95Å; I120-F183 HydrophobicContact CD1-CG 4.44Å; I120-F183 HydrophobicContact CG1-CD2 4.19Å; L155-F183 HydrophobicContact CB-CE1 4.37Å; L155-F183 WeakPolarHBondContact O-CE1 3.32Å; H179-F183 PolarHBondContact O-N 2.98Å; H179-F183 VanDerWaalsContact O-N 3.1Å; F180-F183 HydrophobicContact CD2-CD1 4.14Å; F180-F183 HydrophobicContact CE2-CD1 4.07Å; F180-F183 HydrophobicContact CE2-CE1 4.43Å; F180-F183 PolarHBondContact O-N 2.9Å; N181-F183 VanDerWaalsContact C-N 3.33Å; F183-N185 VanDerWaalsContact C-N 3.34Å; F183-N185 PolarHBondContact O-N 3.12Å; F183-L186 WeakPolarHBondContact O-CB 3.47Å; F183-L186 PolarHBondContact O-N 3.18Å; F183-C187 WeakPolarHBondContact CE2-SG 3.39Å; F183-C187 PolarHBondContact O-N 2.88Å; F183-C187 PolarHBondContact O-SG 3.35Å |
| 184 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.8 | -44.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | L155 F180 N181 L186 C187 F188 V242 | L155-A184 HydrophobicContact CD1-CB 3.69Å; F180-A184 WeakPolarHBondContact O-CB 3.27Å; F180-A184 PolarHBondContact O-N 3.05Å; N181-A184 PolarHBondContact O-N 3.44Å; A184-L186 VanDerWaalsContact C-N 3.32Å; A184-L186 PolarHBondContact O-N 3.22Å; A184-C187 WeakPolarHBondContact O-CB 3.45Å; A184-C187 PolarHBondContact O-N 3.41Å; A184-C187 VanDerWaalsContact O-N 3.09Å; A184-F188 HydrophobicContact CB-CE2 4.23Å; A184-F188 HydrophobicContact CB-CZ 4.37Å; A184-F188 VanDerWaalsContact O-CD2 3.3Å; A184-F188 WeakPolarHBondContact O-CD2 3.38Å; A184-F188 VanDerWaalsContact O-CG 3.25Å; A184-F188 WeakPolarHBondContact O-CG 3.31Å; A184-F188 PolarHBondContact O-N 2.99Å; A184-V242 HydrophobicContact CB-CB 4.3Å; A184-V242 HydrophobicContact CB-CG1 3.67Å; A184-V242 HydrophobicContact CB-CG2 3.59Å |
| 185 | N | 98.9 | Very high | 98.8 | Very high | 26 Ų | 26 | 26.4 Ų | 26.4 | 14% | 0.139 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.2 | -40.6 | 177.9 | -166.7 | 25.5 | 0 | 0 | 0 | 111.8 | N181 F183 F188 E189 T245 W250 | N181-N185 WeakPolarHBondContact O-CB 3.36Å; N181-N185 PolarHBondContact O-N 3.33Å; F183-N185 VanDerWaalsContact C-N 3.34Å; F183-N185 PolarHBondContact O-N 3.12Å; N185-F188 PolarHBondContact O-N 3.32Å; N185-E189 WeakPolarHBondContact O-CB 3.47Å; N185-E189 PolarHBondContact O-N 3.23Å; N185-T245 HydrophobicContact CB-CG2 4.07Å; N185-W250 PolarHBondContact OD1-NE1 2.95Å |
| 186 | L | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.8 | -40.4 | 172.9 | 179.7 | 64.3 | 0 | 0 | 0 | 111.9 | I119 I120 K125 V129 D182 F183 A184 E189 K190 | I119-L186 HydrophobicContact CG2-CD2 3.77Å; I120-L186 HydrophobicContact CD1-CD2 3.98Å; I120-L186 HydrophobicContact CG1-CD2 4.07Å; K125-L186 HydrophobicContact CD-CB 4.45Å; V129-L186 HydrophobicContact CB-CD2 4.49Å; V129-L186 HydrophobicContact CG1-CD2 3.83Å; V129-L186 HydrophobicContact CG2-CD2 3.81Å; D182-L186 WeakPolarHBondContact O-CB 3.35Å; D182-L186 PolarHBondContact O-N 3.24Å; F183-L186 WeakPolarHBondContact O-CB 3.47Å; F183-L186 PolarHBondContact O-N 3.18Å; A184-L186 VanDerWaalsContact C-N 3.32Å; A184-L186 PolarHBondContact O-N 3.22Å; L186-E189 WeakPolarHBondContact O-CB 3.3Å; L186-E189 PolarHBondContact O-N 3.48Å; L186-K190 HydrophobicContact CD1-CG 4.05Å; L186-K190 HydrophobicContact CG-CG 4.47Å; L186-K190 WeakPolarHBondContact O-CG 3.4Å; L186-K190 PolarHBondContact O-N 2.99Å |
| 187 | C | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 176.2 | -65.1 | 0 | 0 | 0 | 0 | 111.9 | I114 L155 F183 A184 E189 K190 F191 W198 | I114-C187 HydrophobicContact CD1-CB 4.44Å; L155-C187 HydrophobicContact CD2-CB 3.58Å; F183-C187 WeakPolarHBondContact CE2-SG 3.39Å; F183-C187 PolarHBondContact O-N 2.88Å; F183-C187 PolarHBondContact O-SG 3.35Å; A184-C187 WeakPolarHBondContact O-CB 3.45Å; A184-C187 PolarHBondContact O-N 3.41Å; A184-C187 VanDerWaalsContact O-N 3.09Å; C187-E189 VanDerWaalsContact C-N 3.33Å; C187-E189 PolarHBondContact O-N 2.74Å; C187-K190 PolarHBondContact O-N 2.59Å; C187-F191 HydrophobicContact CB-CD2 4.1Å; C187-F191 HydrophobicContact CB-CE2 4.42Å; C187-F191 WeakPolarHBondContact O-CB 3.17Å; C187-F191 VanDerWaalsContact O-CD2 3.28Å; C187-F191 WeakPolarHBondContact O-CD2 3.18Å; C187-F191 PolarHBondContact O-N 2.88Å; C187-W198 HydrophobicContact CB-CH2 4.15Å; C187-W198 HydrophobicContact CB-CZ3 4.09Å |
| 188 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.8 | -42.9 | 173.8 | -57.6 | -34.4 | 0 | 0 | 0 | 111.6 | L155 A184 N185 K190 G192 W198 V242 Y246 W250 Q254 V258 | L155-F188 HydrophobicContact CD1-CE1 4.07Å; L155-F188 HydrophobicContact CD1-CZ 4.04Å; A184-F188 HydrophobicContact CB-CE2 4.23Å; A184-F188 HydrophobicContact CB-CZ 4.37Å; A184-F188 VanDerWaalsContact O-CD2 3.3Å; A184-F188 WeakPolarHBondContact O-CD2 3.38Å; A184-F188 VanDerWaalsContact O-CG 3.25Å; A184-F188 WeakPolarHBondContact O-CG 3.31Å; A184-F188 PolarHBondContact O-N 2.99Å; N185-F188 PolarHBondContact O-N 3.32Å; F188-K190 PolarHBondContact O-N 2.82Å; F188-G192 WeakPolarHBondContact O-CA 3.35Å; F188-G192 PolarHBondContact O-N 3.35Å; F188-W198 AromaticContact CD1-CD2 3.84Å; F188-W198 HydrophobicContact CD1-CD2 3.84Å; F188-W198 AromaticContact CD1-CE2 3.67Å; F188-W198 HydrophobicContact CD1-CE3 4.2Å; F188-W198 HydrophobicContact CD1-CG 4.28Å; F188-W198 HydrophobicContact CD1-CH2 4.19Å; F188-W198 AromaticContact CD1-CZ2 3.85Å; F188-W198 HydrophobicContact CD1-CZ2 3.85Å; F188-W198 HydrophobicContact CD1-CZ3 4.37Å; F188-W198 HydrophobicContact CE1-CB 4.2Å; F188-W198 AromaticContact CE1-CD2 3.6Å; F188-W198 HydrophobicContact CE1-CD2 3.6Å; F188-W198 AromaticContact CE1-CE2 3.92Å; F188-W198 AromaticContact CE1-CE3 3.93Å; F188-W198 HydrophobicContact CE1-CE3 3.93Å; F188-W198 AromaticContact CE1-CG 3.73Å; F188-W198 HydrophobicContact CE1-CG 3.73Å; F188-W198 HydrophobicContact CE1-CZ2 4.46Å; F188-W198 HydrophobicContact CE1-CZ3 4.47Å; F188-V242 HydrophobicContact CE2-CG1 3.86Å; F188-V242 HydrophobicContact CZ-CG1 3.63Å; F188-Y246 HydrophobicContact CB-CD2 4.43Å; F188-Y246 AromaticContact CD1-CD2 3.67Å; F188-Y246 HydrophobicContact CD1-CD2 3.67Å; F188-Y246 AromaticContact CD1-CE2 3.98Å; F188-Y246 HydrophobicContact CD1-CE2 3.98Å; F188-Y246 AromaticContact CD2-CD2 3.76Å; F188-Y246 HydrophobicContact CD2-CD2 3.76Å; F188-Y246 AromaticContact CE1-CD2 3.72Å; F188-Y246 HydrophobicContact CE1-CD2 3.72Å; F188-Y246 HydrophobicContact CE1-CE2 4.26Å; F188-Y246 AromaticContact CE2-CD2 3.81Å; F188-Y246 HydrophobicContact CE2-CD2 3.81Å; F188-Y246 HydrophobicContact CE2-CG 4.3Å; F188-Y246 AromaticContact CG-CD2 3.7Å; F188-Y246 HydrophobicContact CG-CD2 3.7Å; F188-Y246 HydrophobicContact CG-CE2 4.21Å; F188-Y246 AromaticContact CZ-CD2 3.78Å; F188-Y246 HydrophobicContact CZ-CD2 3.78Å; F188-Y246 HydrophobicContact CZ-CG 4.32Å; F188-W250 HydrophobicContact CB-CD2 4.05Å; F188-W250 HydrophobicContact CB-CG 3.91Å; F188-W250 AromaticContact CD2-CD1 3.78Å; F188-Q254 PolarHBondContact O-NE2 3.12Å; F188-V258 HydrophobicContact CZ-CG2 4.5Å |
| 189 | E | 98.8 | Very high | 98.9 | Very high | 83 Ų | 83 | 25.5 Ų | 25.5 | 39% | 0.388 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -59 | -45 | 176.8 | -175.7 | -162.7 | 139.5 | 0 | 0 | 112.2 | K125 N185 L186 C187 W250 | K125-E189 IonicContact NZ-OE2 2.84Å; N185-E189 WeakPolarHBondContact O-CB 3.47Å; N185-E189 PolarHBondContact O-N 3.23Å; L186-E189 WeakPolarHBondContact O-CB 3.3Å; L186-E189 PolarHBondContact O-N 3.48Å; C187-E189 VanDerWaalsContact C-N 3.33Å; C187-E189 PolarHBondContact O-N 2.74Å; E189-W250 VanDerWaalsContact CA-CH2 3.45Å; E189-W250 HydrophobicContact CB-CH2 3.62Å; E189-W250 HydrophobicContact CB-CZ2 3.74Å; E189-W250 HydrophobicContact CG-CH2 3.84Å; E189-W250 HydrophobicContact CG-CZ2 4.31Å |
| 190 | K | 98.8 | Very high | 98.9 | Very high | 75 Ų | 75 | 24.4 Ų | 24.4 | 33% | 0.326 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -84.1 | -35.4 | -173.7 | -63.6 | -49.4 | -175.3 | -155.3 | 0 | 114.4 | I134 L186 C187 F188 R194 | I134-K190 HydrophobicContact CD1-CG 4.16Å; I134-K190 HydrophobicContact CG2-CB 4.46Å; I134-K190 HydrophobicContact CG2-CG 4.33Å; L186-K190 HydrophobicContact CD1-CG 4.05Å; L186-K190 HydrophobicContact CG-CG 4.47Å; L186-K190 WeakPolarHBondContact O-CG 3.4Å; L186-K190 PolarHBondContact O-N 2.99Å; C187-K190 PolarHBondContact O-N 2.59Å; F188-K190 PolarHBondContact O-N 2.82Å; K190-R194 PolarHBondContact O-NH2 3.46Å |
| 191 | F | 98.9 | Very high | 98.9 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 0% | 0.004 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -122 | -13.6 | -167 | -46.8 | -60 | 0 | 0 | 0 | 113.8 | I114 I119 I134 D138 I141 C187 D193 R194 V195 W198 | I114-F191 HydrophobicContact CD1-CD2 3.71Å; I114-F191 HydrophobicContact CD1-CE2 3.72Å; I119-F191 HydrophobicContact CD1-CZ 4.47Å; I134-F191 HydrophobicContact CG2-CE1 4.09Å; I134-F191 HydrophobicContact CG2-CZ 4.14Å; D138-F191 VanDerWaalsContact OD1-CD1 3.22Å; D138-F191 WeakPolarHBondContact OD1-CD1 3.44Å; D138-F191 VanDerWaalsContact OD1-CE1 3.27Å; D138-F191 WeakPolarHBondContact OD1-CE1 3.14Å; I141-F191 HydrophobicContact CD1-CB 3.81Å; I141-F191 HydrophobicContact CD1-CD1 3.75Å; I141-F191 HydrophobicContact CD1-CG 3.86Å; C187-F191 HydrophobicContact CB-CD2 4.1Å; C187-F191 HydrophobicContact CB-CE2 4.42Å; C187-F191 WeakPolarHBondContact O-CB 3.17Å; C187-F191 VanDerWaalsContact O-CD2 3.28Å; C187-F191 WeakPolarHBondContact O-CD2 3.18Å; C187-F191 PolarHBondContact O-N 2.88Å; F191-D193 VanDerWaalsContact C-OD1 3.31Å; F191-D193 PolarHBondContact O-N 2.95Å; F191-R194 PolarHBondContact O-N 2.6Å; F191-R194 VanDerWaalsContact O-N 3.1Å; F191-V195 HydrophobicContact CB-CG2 4.1Å; F191-V195 WeakPolarHBondContact O-CB 3.19Å; F191-V195 WeakPolarHBondContact O-CG2 3.12Å; F191-V195 PolarHBondContact O-N 3.19Å; F191-W198 HydrophobicContact CB-CH2 3.96Å; F191-W198 HydrophobicContact CB-CZ2 4.36Å; F191-W198 HydrophobicContact CD2-CH2 4.44Å |
| 192 | G | 98.8 | Very high | 98.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -9.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | F188 R194 K196 Q254 | F188-G192 WeakPolarHBondContact O-CA 3.35Å; F188-G192 PolarHBondContact O-N 3.35Å; G192-R194 PolarHBondContact O-N 3.3Å; G192-K196 PolarHBondContact O-NZ 3.31Å; G192-Q254 VanDerWaalsContact CA-CD 3.47Å; G192-Q254 WeakPolarHBondContact O-CB 3.33Å; G192-Q254 VanDerWaalsContact O-CD 3.29Å; G192-Q254 VanDerWaalsContact O-CG 3.31Å; G192-Q254 WeakPolarHBondContact O-CG 3.47Å; G192-Q254 PolarHBondContact O-OE1 3.07Å |
| 193 | D | 98.6 | Very high | 98.8 | Very high | 95 Ų | 95 | 21.4 Ų | 21.4 | 51% | 0.508 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -35.2 | 165.8 | 68.5 | -51.2 | 0 | 0 | 0 | 111.3 | F191 K196 | F191-D193 VanDerWaalsContact C-OD1 3.31Å; F191-D193 PolarHBondContact O-N 2.95Å; D193-K196 VanDerWaalsContact C-NZ 3.34Å; D193-K196 VanDerWaalsContact O-CE 3.3Å; D193-K196 WeakPolarHBondContact O-CE 3.13Å; D193-K196 PolarHBondContact O-NZ 2.95Å |
| 194 | R | 98.8 | Very high | 98.8 | Very high | 54 Ų | 54 | 21.5 Ų | 21.5 | 20% | 0.204 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -42.1 | -178.6 | -80.3 | 165.5 | -67 | 154.5 | 8.7 | 113.6 | D138 I141 D142 L145 K190 F191 G192 | D138-R194 IonicContact OD1-CZ 2.73Å; D138-R194 IonicContact OD1-NH1 3.62Å; D138-R194 IonicContact OD1-NH2 3.59Å; D138-R194 PolarHBondContact OD1-NH2 3.06Å; I141-R194 HydrophobicContact CG2-CB 3.9Å; D142-R194 WeakPolarHBondContact OD1-CD 3.37Å; D142-R194 IonicContact OD1-CZ 3.72Å; D142-R194 IonicContact OD1-NE 2.7Å; D142-R194 IonicContact OD1-NH1 3.94Å; D142-R194 PolarHBondContact OD1-NH1 3Å; D142-R194 IonicContact OD2-NH1 3.89Å; D142-R194 PolarHBondContact OD2-NH1 3.41Å; L145-R194 HydrophobicContact CD1-CB 3.69Å; L145-R194 HydrophobicContact CD1-CG 3.73Å; K190-R194 PolarHBondContact O-NH2 3.46Å; F191-R194 PolarHBondContact O-N 2.6Å; F191-R194 VanDerWaalsContact O-N 3.1Å; G192-R194 PolarHBondContact O-N 3.3Å |
| 195 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -82.6 | 125.4 | -177.9 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | I141 P151 V153 F191 W198 | I141-V195 HydrophobicContact CD1-CG2 3.71Å; I141-V195 HydrophobicContact CG1-CG2 4.16Å; I141-V195 HydrophobicContact CG2-CG2 4.27Å; P151-V195 HydrophobicContact CB-CG2 4.31Å; P151-V195 HydrophobicContact CG-CG2 4.03Å; V153-V195 HydrophobicContact CB-CG1 3.89Å; V153-V195 HydrophobicContact CG2-CB 4.33Å; V153-V195 HydrophobicContact CG2-CG1 3.52Å; V153-V195 HydrophobicContact CG2-CG2 3.82Å; F191-V195 HydrophobicContact CB-CG2 4.1Å; F191-V195 WeakPolarHBondContact O-CB 3.19Å; F191-V195 WeakPolarHBondContact O-CG2 3.12Å; F191-V195 PolarHBondContact O-N 3.19Å; V195-W198 HydrophobicContact CB-CH2 4.13Å; V195-W198 HydrophobicContact CB-CZ2 3.56Å; V195-W198 HydrophobicContact CG1-CD2 3.88Å; V195-W198 VanDerWaalsContact CG1-CE2 3.49Å; V195-W198 HydrophobicContact CG1-CE3 4.26Å; V195-W198 HydrophobicContact CG1-CH2 4.04Å; V195-W198 HydrophobicContact CG1-CZ2 3.6Å; V195-W198 HydrophobicContact CG1-CZ3 4.34Å; V195-W198 HydrophobicContact CG2-CZ2 4.38Å; V195-W198 PolarHBondContact O-NE1 2.9Å | ||
| 196 | K | 98.7 | Very high | 98.8 | Very high | 66 Ų | 66 | 21.9 Ų | 21.9 | 29% | 0.287 | 10% | 0.101 | S | C | . | . | trans | -115.8 | -6.8 | -176.5 | -52.1 | -58.3 | 167 | -166.9 | 0 | 114.9 | G192 D193 Q254 G256 L257 | G192-K196 PolarHBondContact O-NZ 3.31Å; D193-K196 VanDerWaalsContact C-NZ 3.34Å; D193-K196 VanDerWaalsContact O-CE 3.3Å; D193-K196 WeakPolarHBondContact O-CE 3.13Å; D193-K196 PolarHBondContact O-NZ 2.95Å; K196-Q254 VanDerWaalsContact CD-O 3.28Å; K196-Q254 WeakPolarHBondContact CD-O 3.36Å; K196-Q254 WeakPolarHBondContact CE-O 3.38Å; K196-Q254 PolarHBondContact NZ-O 3.06Å; K196-G256 CarbonylContact O-C 3.56Å; K196-G256 VanDerWaalsContact O-CA 3.22Å; K196-G256 WeakPolarHBondContact O-CA 3.46Å; K196-L257 PolarHBondContact O-N 3.15Å | ||
| 197 | H | 98.8 | Very high | 98.7 | Very high | 34 Ų | 34 | 22 Ų | 22 | 16% | 0.157 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 111.8 | 177.8 | -60.9 | 87.8 | 0 | 0 | 0 | 109.1 | I152 V153 | I152-H197 HydrophobicContact CB-CB 4.27Å; I152-H197 HydrophobicContact CG1-CB 3.97Å; I152-H197 HydrophobicContact CG2-CB 4.02Å; V153-H197 PolarHBondContact N-O 3.39Å |
| 198 | W | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 130.2 | -177.6 | -64.3 | 98.4 | 0 | 0 | 0 | 110.4 | I114 V153 L155 C187 F188 F191 V195 Y246 L257 V258 G259 F340 | I114-W198 HydrophobicContact CD1-CZ3 4.47Å; V153-W198 HydrophobicContact CB-CE3 3.81Å; V153-W198 HydrophobicContact CB-CZ3 3.81Å; V153-W198 HydrophobicContact CG1-CE3 3.85Å; V153-W198 HydrophobicContact CG1-CH2 4.44Å; V153-W198 HydrophobicContact CG1-CZ3 3.5Å; V153-W198 VanDerWaalsContact CG1-CZ3 3.5Å; V153-W198 CarbonylContact O-C 3.54Å; V153-W198 WeakPolarHBondContact O-CA 3.48Å; L155-W198 HydrophobicContact CD1-CE3 4.5Å; L155-W198 HydrophobicContact CD2-CE3 3.82Å; L155-W198 HydrophobicContact CD2-CZ3 3.64Å; L155-W198 HydrophobicContact CG-CE3 4.09Å; L155-W198 HydrophobicContact CG-CZ3 4.41Å; C187-W198 HydrophobicContact CB-CH2 4.15Å; C187-W198 HydrophobicContact CB-CZ3 4.09Å; F188-W198 AromaticContact CD1-CD2 3.84Å; F188-W198 HydrophobicContact CD1-CD2 3.84Å; F188-W198 AromaticContact CD1-CE2 3.67Å; F188-W198 HydrophobicContact CD1-CE3 4.2Å; F188-W198 HydrophobicContact CD1-CG 4.28Å; F188-W198 HydrophobicContact CD1-CH2 4.19Å; F188-W198 AromaticContact CD1-CZ2 3.85Å; F188-W198 HydrophobicContact CD1-CZ2 3.85Å; F188-W198 HydrophobicContact CD1-CZ3 4.37Å; F188-W198 HydrophobicContact CE1-CB 4.2Å; F188-W198 AromaticContact CE1-CD2 3.6Å; F188-W198 HydrophobicContact CE1-CD2 3.6Å; F188-W198 AromaticContact CE1-CE2 3.92Å; F188-W198 AromaticContact CE1-CE3 3.93Å; F188-W198 HydrophobicContact CE1-CE3 3.93Å; F188-W198 AromaticContact CE1-CG 3.73Å; F188-W198 HydrophobicContact CE1-CG 3.73Å; F188-W198 HydrophobicContact CE1-CZ2 4.46Å; F188-W198 HydrophobicContact CE1-CZ3 4.47Å; F191-W198 HydrophobicContact CB-CH2 3.96Å; F191-W198 HydrophobicContact CB-CZ2 4.36Å; F191-W198 HydrophobicContact CD2-CH2 4.44Å; V195-W198 HydrophobicContact CB-CH2 4.13Å; V195-W198 HydrophobicContact CB-CZ2 3.56Å; V195-W198 HydrophobicContact CG1-CD2 3.88Å; V195-W198 VanDerWaalsContact CG1-CE2 3.49Å; V195-W198 HydrophobicContact CG1-CE3 4.26Å; V195-W198 HydrophobicContact CG1-CH2 4.04Å; V195-W198 HydrophobicContact CG1-CZ2 3.6Å; V195-W198 HydrophobicContact CG1-CZ3 4.34Å; V195-W198 HydrophobicContact CG2-CZ2 4.38Å; V195-W198 PolarHBondContact O-NE1 2.9Å; W198-Y246 AromaticContact CD1-CE2 3.98Å; W198-Y246 AromaticContact NE1-CE2 3.94Å; W198-L257 PolarHBondContact N-O 2.91Å; W198-V258 HydrophobicContact CB-CG2 4.14Å; W198-V258 WeakPolarHBondContact O-CA 3.25Å; W198-G259 PolarHBondContact O-N 2.87Å; W198-F340 WeakPolarHBondContact O-CZ 3.34Å |
| 199 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 120.3 | 171.1 | -64 | 169.4 | 0 | 0 | 0 | 106.6 | R111 I152 V153 T154 L155 F201 G259 F340 T413 | R111-I199 HydrophobicContact CG-CD1 4.45Å; I152-I199 HydrophobicContact CG2-CD1 3.77Å; I152-I199 HydrophobicContact CG2-CG1 4.26Å; V153-I199 PolarHBondContact O-N 2.99Å; T154-I199 CarbonylContact C-O 3.5Å; T154-I199 VanDerWaalsContact CA-O 3.31Å; T154-I199 WeakPolarHBondContact CA-O 3.34Å; T154-I199 HydrophobicContact CG2-CB 4.37Å; T154-I199 HydrophobicContact CG2-CG2 4.07Å; L155-I199 PolarHBondContact N-O 2.88Å; I199-F201 VanDerWaalsContact CG2-O 3.32Å; I199-F201 WeakPolarHBondContact CG2-O 3.49Å; I199-G259 WeakPolarHBondContact CA-O 3.37Å; I199-F340 HydrophobicContact CG1-CE2 4.04Å; I199-F340 HydrophobicContact CG1-CZ 3.81Å; I199-T413 HydrophobicContact CD1-CG2 3.65Å |
| 200 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | -52.8 | -179.4 | 57.5 | 0 | 0 | 0 | 0 | 111.7 | Y156 F180 H239 V242 V258 G259 | Y156-T200 WeakPolarHBondContact CB-O 3.24Å; Y156-T200 PolarHBondContact N-O 2.83Å; F180-T200 WeakPolarHBondContact CZ-O 3.32Å; T200-H239 PolarHBondContact OG1-ND1 2.84Å; T200-V242 HydrophobicContact CG2-CB 4.1Å; T200-V242 HydrophobicContact CG2-CG1 3.63Å; T200-V258 HydrophobicContact CG2-CG1 3.74Å; T200-G259 PolarHBondContact N-O 2.91Å; T200-G259 PolarHBondContact OG1-O 2.75Å |
| 201 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 136.1 | -177.1 | -70.1 | -89.1 | 0 | 0 | 0 | 109.2 | Y156 W171 F180 I199 P204 I235 A238 H239 I260 S261 | Y156-F201 AromaticContact CD1-CD1 3.48Å; Y156-F201 HydrophobicContact CD1-CD1 3.48Å; Y156-F201 VanDerWaalsContact CD1-CD1 3.48Å; Y156-F201 AromaticContact CD1-CE1 3.74Å; Y156-F201 HydrophobicContact CD1-CE1 3.74Å; Y156-F201 HydrophobicContact CE1-CD1 4.33Å; Y156-F201 HydrophobicContact CE1-CE1 4.4Å; Y156-F201 AromaticContact CG-CD1 3.97Å; Y156-F201 HydrophobicContact CG-CD1 3.97Å; Y156-F201 AromaticContact CG-CE1 3.97Å; Y156-F201 HydrophobicContact CG-CE1 3.97Å; W171-F201 AromaticContact CH2-CE1 3.47Å; W171-F201 HydrophobicContact CH2-CE1 3.47Å; W171-F201 VanDerWaalsContact CH2-CE1 3.47Å; W171-F201 AromaticContact CH2-CZ 3.45Å; W171-F201 HydrophobicContact CH2-CZ 3.45Å; W171-F201 VanDerWaalsContact CH2-CZ 3.45Å; W171-F201 AromaticContact CZ2-CE1 3.5Å; W171-F201 HydrophobicContact CZ2-CE1 3.5Å; W171-F201 HydrophobicContact CZ2-CZ 4.01Å; W171-F201 HydrophobicContact CZ3-CE1 4.23Å; W171-F201 HydrophobicContact CZ3-CZ 4.03Å; F180-F201 AromaticContact CD1-CE2 3.84Å; F180-F201 HydrophobicContact CD1-CE2 3.84Å; F180-F201 AromaticContact CD1-CZ 3.56Å; F180-F201 HydrophobicContact CD1-CZ 3.56Å; F180-F201 HydrophobicContact CE1-CD2 4.18Å; F180-F201 HydrophobicContact CE1-CE1 4.29Å; F180-F201 AromaticContact CE1-CE2 3.33Å; F180-F201 HydrophobicContact CE1-CE2 3.33Å; F180-F201 AromaticContact CE1-CZ 3.39Å; F180-F201 HydrophobicContact CE1-CZ 3.39Å; F180-F201 HydrophobicContact CE2-CZ 4.48Å; F180-F201 HydrophobicContact CG-CZ 4.16Å; F180-F201 HydrophobicContact CZ-CE1 4.38Å; F180-F201 AromaticContact CZ-CE2 4Å; F180-F201 HydrophobicContact CZ-CE2 4Å; F180-F201 AromaticContact CZ-CZ 3.9Å; F180-F201 HydrophobicContact CZ-CZ 3.9Å; I199-F201 VanDerWaalsContact CG2-O 3.32Å; I199-F201 WeakPolarHBondContact CG2-O 3.49Å; F201-P204 HydrophobicContact CB-CB 4.37Å; F201-I235 HydrophobicContact CD1-CG2 3.77Å; F201-I235 HydrophobicContact CD2-CG2 3.95Å; F201-I235 HydrophobicContact CE1-CB 4.47Å; F201-I235 HydrophobicContact CE1-CG1 4.19Å; F201-I235 HydrophobicContact CE1-CG2 3.83Å; F201-I235 HydrophobicContact CE2-CG2 4.01Å; F201-I235 HydrophobicContact CG-CG2 3.86Å; F201-I235 HydrophobicContact CZ-CG2 3.96Å; F201-A238 HydrophobicContact CE2-CB 4.14Å; F201-A238 HydrophobicContact CZ-CB 3.92Å; F201-H239 HydrophobicContact CD2-CB 3.99Å; F201-H239 HydrophobicContact CE2-CB 3.98Å; F201-I260 HydrophobicContact CB-CD1 4.11Å; F201-I260 HydrophobicContact CB-CG1 4.09Å; F201-I260 HydrophobicContact CD2-CD1 4.44Å; F201-S261 PolarHBondContact O-N 3.18Å |
| 202 | N | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 131.1 | 159.2 | -166.8 | 55.5 | 0 | 0 | 0 | 110.9 | R111 T154 Y156 H157 W158 S261 E414 | R111-N202 PolarHBondContact NH2-OD1 3.3Å; T154-N202 HydrophobicContact CG2-CB 4.01Å; Y156-N202 PolarHBondContact O-N 3.38Å; H157-N202 HydrophobicContact CB-CB 4.41Å; H157-N202 PolarHBondContact CE1-ND2 2.84Å; H157-N202 PolarHBondContact NE2-ND2 2.97Å; W158-N202 PolarHBondContact NE1-O 2.81Å; N202-S261 WeakPolarHBondContact OD1-CB 3.29Å; N202-S261 PolarHBondContact OD1-OG 2.96Å; N202-E414 VanDerWaalsContact CG-OE1 3.3Å; N202-E414 PolarHBondContact ND2-OE1 3.01Å; N202-E414 PolarHBondContact ND2-OE2 3.34Å; N202-E414 PolarHBondContact OD1-OE1 3.19Å |
| 203 | N | 98.3 | Very high | 98.5 | Very high | 11 Ų | 11 | 16.3 Ų | 16.3 | 6% | 0.059 | 8% | 0.076 | C | C | . | . | trans | 37.4 | 67.2 | 170.3 | -179.1 | 14.9 | 0 | 0 | 0 | 112.4 | W158 W205 S206 S261 S263 | W158-N203 HydrophobicContact CZ2-CB 3.89Å; W158-N203 PolarHBondContact NE1-O 2.9Å; N203-W205 PolarHBondContact O-N 3.24Å; N203-W205 VanDerWaalsContact O-N 3.13Å; N203-S206 WeakPolarHBondContact ND2-CB 3.4Å; N203-S206 PolarHBondContact ND2-OG 2.77Å; N203-S206 PolarHBondContact O-N 3.18Å; N203-S206 PolarHBondContact OD1-N 3.2Å; N203-S261 PolarHBondContact N-O 2.71Å; N203-S263 WeakPolarHBondContact CB-OG 3.42Å; N203-S263 PolarHBondContact ND2-OG 3.06Å | ||
| 204 | P | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.006 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -65.7 | -14.8 | -176.7 | 29.9 | -38.1 | 0 | 0 | 0 | 113 | F201 A208 I235 I260 L262 F292 | F201-P204 HydrophobicContact CB-CB 4.37Å; P204-A208 WeakPolarHBondContact O-CB 3.27Å; P204-A208 PolarHBondContact O-N 3.41Å; P204-I235 HydrophobicContact CB-CG2 3.7Å; P204-I260 HydrophobicContact CG-CD1 4.34Å; P204-L262 HydrophobicContact CG-CD2 3.64Å; P204-F292 HydrophobicContact CB-CD1 3.85Å; P204-F292 HydrophobicContact CB-CE1 3.53Å; P204-F292 HydrophobicContact CB-CG 4.46Å; P204-F292 HydrophobicContact CB-CZ 3.9Å; P204-F292 HydrophobicContact CG-CB 4.33Å; P204-F292 HydrophobicContact CG-CD1 3.48Å; P204-F292 VanDerWaalsContact CG-CD1 3.48Å; P204-F292 HydrophobicContact CG-CD2 4.04Å; P204-F292 HydrophobicContact CG-CE1 3.67Å; P204-F292 HydrophobicContact CG-CE2 4.21Å; P204-F292 HydrophobicContact CG-CG 3.68Å; P204-F292 HydrophobicContact CG-CZ 4.03Å |
| 205 | W | 98.6 | Very high | 98.3 | Very high | 28 Ų | 28 | 10.8 Ų | 10.8 | 11% | 0.106 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.6 | -47.5 | 172.1 | -179.6 | 93.8 | 0 | 0 | 0 | 111.6 | N203 V207 A208 V209 E210 Y288 W291 F292 Y365 | N203-W205 PolarHBondContact O-N 3.24Å; N203-W205 VanDerWaalsContact O-N 3.13Å; W205-V207 VanDerWaalsContact C-N 3.3Å; W205-V207 PolarHBondContact O-N 3.45Å; W205-A208 PolarHBondContact O-N 2.85Å; W205-A208 VanDerWaalsContact O-N 3.1Å; W205-V209 HydrophobicContact CD2-CB 4.15Å; W205-V209 HydrophobicContact CD2-CG2 4.01Å; W205-V209 HydrophobicContact CE3-CB 4.48Å; W205-V209 HydrophobicContact CG-CG2 4.18Å; W205-V209 HydrophobicContact CH2-CB 4.27Å; W205-V209 HydrophobicContact CH2-CG1 4.04Å; W205-V209 HydrophobicContact CZ2-CB 3.95Å; W205-V209 HydrophobicContact CZ2-CG1 3.76Å; W205-V209 HydrophobicContact CZ2-CG2 4.02Å; W205-V209 WeakPolarHBondContact O-CB 3.3Å; W205-V209 PolarHBondContact O-N 3.35Å; W205-E210 HydrophobicContact CZ3-CG 4.11Å; W205-Y288 HydrophobicContact CB-CD2 3.9Å; W205-Y288 HydrophobicContact CB-CE2 3.63Å; W205-Y288 AromaticContact CD1-CD2 3.34Å; W205-Y288 AromaticContact CD1-CE2 3.73Å; W205-Y288 AromaticContact CD2-CD2 3.66Å; W205-Y288 HydrophobicContact CD2-CD2 3.66Å; W205-Y288 AromaticContact CD2-CE2 3.21Å; W205-Y288 HydrophobicContact CD2-CE2 3.21Å; W205-Y288 AromaticContact CE2-CD2 3.8Å; W205-Y288 AromaticContact CE2-CE2 3.71Å; W205-Y288 HydrophobicContact CE3-CD2 4.44Å; W205-Y288 AromaticContact CE3-CE2 3.56Å; W205-Y288 HydrophobicContact CE3-CE2 3.56Å; W205-Y288 AromaticContact CG-CD2 3.36Å; W205-Y288 HydrophobicContact CG-CD2 3.36Å; W205-Y288 AromaticContact CG-CE2 3.24Å; W205-Y288 HydrophobicContact CG-CE2 3.24Å; W205-Y288 HydrophobicContact CZ2-CE2 4.46Å; W205-Y288 HydrophobicContact CZ3-CE2 4.34Å; W205-Y288 AromaticContact NE1-CD2 3.57Å; W205-Y288 AromaticContact NE1-CE2 3.95Å; W205-W291 AromaticContact CD1-CE3 3.89Å; W205-W291 AromaticContact CD1-CZ3 3.9Å; W205-F292 HydrophobicContact CB-CE2 3.84Å; W205-Y365 AromaticContact CZ2-CE1 3.96Å; W205-Y365 HydrophobicContact CZ2-CE1 3.96Å; W205-Y365 AromaticContact NE1-CE1 3.68Å; W205-Y365 AromaticContact NE1-CZ 3.33Å; W205-Y365 VanDerWaalsContact NE1-CZ 3.33Å; W205-Y365 PolarHBondContact NE1-OH 3.23Å |
| 206 | S | 98.1 | Very high | 98.1 | Very high | 6 Ų | 6 | 15.6 Ų | 15.6 | 4% | 0.042 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.3 | -42.6 | 176.6 | -77.7 | 0 | 0 | 0 | 0 | 111.6 | N203 A208 E210 G211 | N203-S206 WeakPolarHBondContact ND2-CB 3.4Å; N203-S206 PolarHBondContact ND2-OG 2.77Å; N203-S206 PolarHBondContact O-N 3.18Å; N203-S206 PolarHBondContact OD1-N 3.2Å; S206-A208 VanDerWaalsContact C-N 3.33Å; S206-A208 PolarHBondContact O-N 3.4Å; S206-E210 WeakPolarHBondContact CA-OE2 3.35Å; S206-E210 WeakPolarHBondContact CB-OE2 3.24Å; S206-E210 WeakPolarHBondContact O-CA 3.45Å; S206-E210 VanDerWaalsContact O-CB 3.31Å; S206-E210 WeakPolarHBondContact O-CB 3.19Å; S206-E210 PolarHBondContact O-N 3.39Å; S206-E210 PolarHBondContact OG-OE2 2.85Å; S206-G211 PolarHBondContact O-N 2.69Å; S206-G211 VanDerWaalsContact O-N 3.15Å |
| 207 | V | 98.6 | Very high | 98.1 | Very high | 8 Ų | 8 | 13.1 Ų | 13.1 | 5% | 0.048 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -56.7 | -48.4 | 174.5 | -175.1 | 0 | 0 | 0 | 0 | 111 | Y156 W158 W171 W205 G211 Y212 I235 | Y156-V207 HydrophobicContact CE1-CG1 4.16Å; Y156-V207 HydrophobicContact CE1-CG2 3.85Å; W158-V207 HydrophobicContact CG-CG2 4.04Å; W171-V207 HydrophobicContact CG-CG1 4.47Å; W205-V207 VanDerWaalsContact C-N 3.3Å; W205-V207 PolarHBondContact O-N 3.45Å; V207-G211 WeakPolarHBondContact O-CA 3.44Å; V207-G211 PolarHBondContact O-N 2.9Å; V207-Y212 HydrophobicContact CG1-CE2 4.35Å; V207-Y212 VanDerWaalsContact O-CD2 3.22Å; V207-Y212 WeakPolarHBondContact O-CD2 3.41Å; V207-I235 HydrophobicContact CB-CD1 4.1Å; V207-I235 HydrophobicContact CG1-CD1 3.8Å |
| 208 | A | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -73.6 | -48.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113 | P204 W205 S206 Y212 E213 A228 A231 A232 W291 F292 | P204-A208 WeakPolarHBondContact O-CB 3.27Å; P204-A208 PolarHBondContact O-N 3.41Å; W205-A208 PolarHBondContact O-N 2.85Å; W205-A208 VanDerWaalsContact O-N 3.1Å; S206-A208 VanDerWaalsContact C-N 3.33Å; S206-A208 PolarHBondContact O-N 3.4Å; A208-Y212 WeakPolarHBondContact O-CB 3.3Å; A208-Y212 PolarHBondContact O-N 2.85Å; A208-E213 PolarHBondContact O-N 3.47Å; A208-A228 HydrophobicContact CB-CB 4.41Å; A208-A228 WeakPolarHBondContact O-CA 3.38Å; A208-A231 HydrophobicContact CB-CB 4.21Å; A208-A232 HydrophobicContact CB-CB 4.15Å; A208-W291 HydrophobicContact CB-CH2 4.27Å; A208-F292 HydrophobicContact CB-CZ 4.4Å |
| 209 | V | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -83.6 | -59.5 | -174.3 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | W205 G211 E213 T214 A228 W291 Y365 F366 | W205-V209 HydrophobicContact CD2-CB 4.15Å; W205-V209 HydrophobicContact CD2-CG2 4.01Å; W205-V209 HydrophobicContact CE3-CB 4.48Å; W205-V209 HydrophobicContact CG-CG2 4.18Å; W205-V209 HydrophobicContact CH2-CB 4.27Å; W205-V209 HydrophobicContact CH2-CG1 4.04Å; W205-V209 HydrophobicContact CZ2-CB 3.95Å; W205-V209 HydrophobicContact CZ2-CG1 3.76Å; W205-V209 HydrophobicContact CZ2-CG2 4.02Å; W205-V209 WeakPolarHBondContact O-CB 3.3Å; W205-V209 PolarHBondContact O-N 3.35Å; V209-G211 VanDerWaalsContact C-N 3.31Å; V209-G211 PolarHBondContact O-N 3.05Å; V209-E213 HydrophobicContact CG1-CB 4.21Å; V209-E213 HydrophobicContact CG1-CG 4.47Å; V209-E213 WeakPolarHBondContact O-CA 3.11Å; V209-E213 WeakPolarHBondContact O-CB 3.2Å; V209-E213 PolarHBondContact O-N 3.08Å; V209-T214 HydrophobicContact CG1-CG2 4.25Å; V209-T214 PolarHBondContact O-N 2.87Å; V209-A228 HydrophobicContact CG2-CB 4.19Å; V209-W291 HydrophobicContact CG2-CH2 4.32Å; V209-W291 HydrophobicContact CG2-CZ3 3.83Å; V209-Y365 HydrophobicContact CG1-CD1 4.07Å; V209-Y365 HydrophobicContact CG1-CE1 4.48Å; V209-Y365 HydrophobicContact CG2-CD1 4.08Å; V209-Y365 HydrophobicContact CG2-CD2 4.39Å; V209-Y365 HydrophobicContact CG2-CE1 4.22Å; V209-Y365 HydrophobicContact CG2-CE2 4.5Å; V209-Y365 HydrophobicContact CG2-CG 4.18Å; V209-F366 HydrophobicContact CG1-CE2 3.84Å; V209-F366 HydrophobicContact CG1-CZ 3.62Å |
| 210 | E | 97.9 | Very high | 97.9 | Very high | 38 Ų | 38 | 13.7 Ų | 13.7 | 18% | 0.178 | 8% | 0.075 | C | C | . | . | I | π-helix | trans | -69.4 | -33.5 | -175.3 | -61.9 | 165.5 | 156.5 | 0 | 0 | 111.5 | W205 S206 T214 G215 E216 H217 | W205-E210 HydrophobicContact CZ3-CG 4.11Å; S206-E210 WeakPolarHBondContact CA-OE2 3.35Å; S206-E210 WeakPolarHBondContact CB-OE2 3.24Å; S206-E210 WeakPolarHBondContact O-CA 3.45Å; S206-E210 VanDerWaalsContact O-CB 3.31Å; S206-E210 WeakPolarHBondContact O-CB 3.19Å; S206-E210 PolarHBondContact O-N 3.39Å; S206-E210 PolarHBondContact OG-OE2 2.85Å; E210-T214 WeakPolarHBondContact CA-OG1 3.4Å; E210-T214 PolarHBondContact O-OG1 2.91Å; E210-G215 CarbonylContact O-C 3.57Å; E210-G215 VanDerWaalsContact O-CA 3.23Å; E210-G215 WeakPolarHBondContact O-CA 3.05Å; E210-G215 PolarHBondContact O-N 3.39Å; E210-E216 PolarHBondContact O-N 2.86Å; E210-H217 HydrophobicContact CB-CB 3.79Å; E210-H217 PolarHBondContact O-N 2.89Å; E210-H217 IonicContact OE2-CE1 2.72Å; E210-H217 PolarHBondContact OE2-CE1 3.26Å; E210-H217 IonicContact OE2-ND1 3.33Å; E210-H217 PolarHBondContact OE2-ND1 3.4Å; E210-H217 IonicContact OE2-NE2 3.26Å |
| 211 | G | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | I | π-helix | trans | -80.5 | -40.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116 | S206 V207 V209 L221 | S206-G211 PolarHBondContact O-N 2.69Å; S206-G211 VanDerWaalsContact O-N 3.15Å; V207-G211 WeakPolarHBondContact O-CA 3.44Å; V207-G211 PolarHBondContact O-N 2.9Å; V209-G211 VanDerWaalsContact C-N 3.31Å; V209-G211 PolarHBondContact O-N 3.05Å; G211-L221 PolarHBondContact O-N 2.86Å |
| 212 | Y | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -117.9 | -13.4 | -172.9 | -63 | -89.7 | 0 | 0 | 0 | 115.4 | Q165 W171 Q172 V207 A208 P219 L221 L223 A231 | Q165-Y212 PolarHBondContact OE1-OH 3.06Å; W171-Y212 HydrophobicContact CB-CE2 3.79Å; W171-Y212 AromaticContact CD1-CE2 3.89Å; W171-Y212 HydrophobicContact CG-CE2 4.26Å; W171-Y212 PolarHBondContact N-OH 3.27Å; Q172-Y212 HydrophobicContact CG-CD1 3.59Å; Q172-Y212 HydrophobicContact CG-CE1 3.71Å; Q172-Y212 VanDerWaalsContact NE2-CD1 3.31Å; V207-Y212 HydrophobicContact CG1-CE2 4.35Å; V207-Y212 VanDerWaalsContact O-CD2 3.22Å; V207-Y212 WeakPolarHBondContact O-CD2 3.41Å; A208-Y212 WeakPolarHBondContact O-CB 3.3Å; A208-Y212 PolarHBondContact O-N 2.85Å; Y212-P219 HydrophobicContact CD1-CG 4.39Å; Y212-P219 HydrophobicContact CE1-CG 3.85Å; Y212-P219 HydrophobicContact CE2-CG 4.44Å; Y212-L221 CarbonylContact C-O 3.44Å; Y212-L221 WeakPolarHBondContact CA-O 3.34Å; Y212-L221 HydrophobicContact CD1-CB 4.34Å; Y212-L221 HydrophobicContact CD1-CD1 3.68Å; Y212-L221 HydrophobicContact CE1-CD1 3.74Å; Y212-L223 WeakPolarHBondContact O-CA 3.44Å; Y212-L223 VanDerWaalsContact O-CB 3.26Å; Y212-L223 WeakPolarHBondContact O-CB 3.31Å; Y212-L223 PolarHBondContact O-N 3.23Å; Y212-A231 HydrophobicContact CD2-CB 3.72Å; Y212-A231 HydrophobicContact CE2-CB 4.18Å; Y212-A231 HydrophobicContact CG-CB 4.14Å |
| 213 | E | 96.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -100.9 | -59.9 | 177.3 | -176.9 | 73.4 | -166.4 | 0 | 0 | 112.1 | A208 V209 K222 R224 G225 A228 S364 Y365 F366 | A208-E213 PolarHBondContact O-N 3.47Å; V209-E213 HydrophobicContact CG1-CB 4.21Å; V209-E213 HydrophobicContact CG1-CG 4.47Å; V209-E213 WeakPolarHBondContact O-CA 3.11Å; V209-E213 WeakPolarHBondContact O-CB 3.2Å; V209-E213 PolarHBondContact O-N 3.08Å; E213-K222 WeakPolarHBondContact O-CA 3.43Å; E213-R224 VanDerWaalsContact OE1-CA 3.31Å; E213-R224 WeakPolarHBondContact OE1-CA 3.45Å; E213-G225 PolarHBondContact OE1-N 2.97Å; E213-G225 PolarHBondContact OE2-N 2.8Å; E213-A228 HydrophobicContact CB-CB 4.07Å; E213-S364 WeakPolarHBondContact OE1-CA 3.13Å; E213-S364 WeakPolarHBondContact OE1-CB 3.36Å; E213-Y365 PolarHBondContact OE1-N 3.4Å; E213-F366 HydrophobicContact CG-CE2 4.48Å |
| 214 | T | 96.5 | Very high | 97.3 | Very high | 28 Ų | 28 | 33.4 Ų | 33.4 | 17% | 0.172 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -88.8 | -33.3 | -175 | 68.8 | 0 | 0 | 0 | 0 | 111.7 | V209 E210 E216 K222 F366 | V209-T214 HydrophobicContact CG1-CG2 4.25Å; V209-T214 PolarHBondContact O-N 2.87Å; E210-T214 WeakPolarHBondContact CA-OG1 3.4Å; E210-T214 PolarHBondContact O-OG1 2.91Å; T214-E216 VanDerWaalsContact C-N 3.27Å; T214-E216 VanDerWaalsContact CB-OE2 3.29Å; T214-E216 WeakPolarHBondContact CB-OE2 3.3Å; T214-E216 VanDerWaalsContact OG1-CD 3.27Å; T214-E216 WeakPolarHBondContact OG1-CG 3.39Å; T214-E216 PolarHBondContact OG1-N 3.21Å; T214-E216 PolarHBondContact OG1-OE2 2.97Å; T214-K222 WeakPolarHBondContact O-CE 3.38Å; T214-K222 WeakPolarHBondContact O-CG 3.45Å; T214-F366 HydrophobicContact CG2-CE2 3.55Å; T214-F366 HydrophobicContact CG2-CZ 4.02Å |
| 215 | G | 96.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 4% | 0.041 | 16% | 0.161 | C | C | . | . | trans | 70.4 | 23.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E210 L221 | E210-G215 CarbonylContact O-C 3.57Å; E210-G215 VanDerWaalsContact O-CA 3.23Å; E210-G215 WeakPolarHBondContact O-CA 3.05Å; E210-G215 PolarHBondContact O-N 3.39Å; G215-L221 WeakPolarHBondContact CA-O 3.29Å; G215-L221 PolarHBondContact N-O 2.95Å | ||
| 216 | E | 96.1 | Very high | 96.7 | Very high | 102 Ų | 102 | 35 Ų | 35 | 48% | 0.477 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -69.4 | -38.1 | 170.4 | -75.6 | 153.9 | 175.3 | 0 | 0 | 110.4 | F72 E210 T214 | F72-E216 VanDerWaalsContact CZ-O 3.31Å; F72-E216 WeakPolarHBondContact CZ-O 3.44Å; E210-E216 PolarHBondContact O-N 2.86Å; T214-E216 VanDerWaalsContact C-N 3.27Å; T214-E216 VanDerWaalsContact CB-OE2 3.29Å; T214-E216 WeakPolarHBondContact CB-OE2 3.3Å; T214-E216 VanDerWaalsContact OG1-CD 3.27Å; T214-E216 WeakPolarHBondContact OG1-CG 3.39Å; T214-E216 PolarHBondContact OG1-N 3.21Å; T214-E216 PolarHBondContact OG1-OE2 2.97Å |
| 217 | H | 97.8 | Very high | 96.6 | Very high | 13 Ų | 13 | 34.7 Ų | 34.7 | 6% | 0.06 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -105.3 | 164.5 | 176.4 | -71.7 | -174.4 | 0 | 0 | 0 | 112.3 | W69 W158 E210 G220 D467 | W69-H217 HydrophobicContact CH2-CB 3.9Å; W69-H217 AromaticContact CH2-CD2 3.94Å; W69-H217 AromaticContact CH2-CG 3.82Å; W69-H217 HydrophobicContact CZ2-CB 3.74Å; W69-H217 AromaticContact CZ2-CG 3.83Å; W158-H217 AromaticContact CZ3-CE1 3.74Å; W158-H217 AromaticContact CZ3-ND1 3.65Å; E210-H217 HydrophobicContact CB-CB 3.79Å; E210-H217 PolarHBondContact O-N 2.89Å; E210-H217 IonicContact OE2-CE1 2.72Å; E210-H217 PolarHBondContact OE2-CE1 3.26Å; E210-H217 IonicContact OE2-ND1 3.33Å; E210-H217 PolarHBondContact OE2-ND1 3.4Å; E210-H217 IonicContact OE2-NE2 3.26Å; H217-G220 WeakPolarHBondContact O-CA 3.35Å; H217-G220 PolarHBondContact O-N 3.24Å; H217-D467 IonicContact CD2-OD1 2.88Å; H217-D467 PolarHBondContact CD2-OD1 2.85Å; H217-D467 IonicContact NE2-OD1 2.93Å; H217-D467 PolarHBondContact NE2-OD1 2.93Å |
| 218 | A | 97.9 | Very high | 96.6 | Very high | 7 Ų | 7 | 34.3 Ų | 34.3 | 6% | 0.058 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 139.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | I68 W69 F72 | I68-A218 HydrophobicContact CB-CB 4.09Å; I68-A218 HydrophobicContact CD1-CB 3.9Å; I68-A218 HydrophobicContact CG1-CB 3.85Å; W69-A218 HydrophobicContact CD2-CB 3.66Å; W69-A218 HydrophobicContact CE3-CB 4.14Å; W69-A218 HydrophobicContact CG-CB 3.9Å; W69-A218 HydrophobicContact CZ2-CB 4.2Å; F72-A218 HydrophobicContact CB-CB 3.69Å; F72-A218 HydrophobicContact CD1-CB 4.31Å; F72-A218 HydrophobicContact CD2-CB 4.39Å; F72-A218 HydrophobicContact CG-CB 3.9Å |
| 219 | P | 98.1 | Very high | 96.6 | Very high | 21 Ų | 21 | 34.3 Ų | 34.3 | 14% | 0.136 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -83.2 | 4.8 | 7.4 | 34.5 | -38.9 | 0 | 0 | 0 | 115.3 | I68 Q165 Y212 L221 | I68-P219 HydrophobicContact CG2-CB 4.47Å; Q165-P219 HydrophobicContact CG-CB 3.9Å; Q165-P219 HydrophobicContact CG-CG 4.49Å; Y212-P219 HydrophobicContact CD1-CG 4.39Å; Y212-P219 HydrophobicContact CE1-CG 3.85Å; Y212-P219 HydrophobicContact CE2-CG 4.44Å; P219-L221 HydrophobicContact CB-CG 4.45Å; P219-L221 HydrophobicContact CG-CD1 3.93Å; P219-L221 HydrophobicContact CG-CG 3.93Å |
| 220 | G | 97.3 | Very high | 96.6 | Very high | 18 Ų | 18 | 40.7 Ų | 40.7 | 19% | 0.186 | 19% | 0.194 | C | C | . | . | trans | 82 | 28.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | H217 | H217-G220 WeakPolarHBondContact O-CA 3.35Å; H217-G220 PolarHBondContact O-N 3.24Å | ||
| 221 | L | 97.2 | Very high | 96.7 | Very high | 58 Ų | 58 | 38.9 Ų | 38.9 | 30% | 0.304 | 19% | 0.185 | S | C | . | . | trans | -88.9 | 137.6 | -177.1 | -66.4 | 177.7 | 0 | 0 | 0 | 111 | G211 Y212 G215 P219 L223 | G211-L221 PolarHBondContact O-N 2.86Å; Y212-L221 CarbonylContact C-O 3.44Å; Y212-L221 WeakPolarHBondContact CA-O 3.34Å; Y212-L221 HydrophobicContact CD1-CB 4.34Å; Y212-L221 HydrophobicContact CD1-CD1 3.68Å; Y212-L221 HydrophobicContact CE1-CD1 3.74Å; G215-L221 WeakPolarHBondContact CA-O 3.29Å; G215-L221 PolarHBondContact N-O 2.95Å; P219-L221 HydrophobicContact CB-CG 4.45Å; P219-L221 HydrophobicContact CG-CD1 3.93Å; P219-L221 HydrophobicContact CG-CG 3.93Å; L221-L223 HydrophobicContact CB-CD1 4.4Å; L221-L223 HydrophobicContact CB-CG 4.19Å; L221-L223 HydrophobicContact CD1-CD1 4.38Å | ||
| 222 | K | 96.3 | Very high | 96.7 | Very high | 137 Ų | 137 | 38.9 Ų | 38.9 | 60% | 0.596 | 19% | 0.185 | S | C | * | . | trans | -110.4 | 60.5 | -176.5 | -57.6 | -165.3 | 172.3 | -172.4 | 0 | 111.7 | E213 T214 R224 | E213-K222 WeakPolarHBondContact O-CA 3.43Å; T214-K222 WeakPolarHBondContact O-CE 3.38Å; T214-K222 WeakPolarHBondContact O-CG 3.45Å; K222-R224 PolarHBondContact O-N 2.69Å | ||
| 223 | L | 95.3 | Very high | 96.7 | Very high | 65 Ų | 65 | 39.5 Ų | 39.5 | 34% | 0.34 | 19% | 0.188 | S | C | . | . | trans | -95.4 | 62.6 | -172.9 | -52.5 | 175.1 | 0 | 0 | 0 | 111.4 | Q172 Y212 L221 G225 T226 G227 | Q172-L223 HydrophobicContact CG-CD1 4.07Å; Y212-L223 WeakPolarHBondContact O-CA 3.44Å; Y212-L223 VanDerWaalsContact O-CB 3.26Å; Y212-L223 WeakPolarHBondContact O-CB 3.31Å; Y212-L223 PolarHBondContact O-N 3.23Å; L221-L223 HydrophobicContact CB-CD1 4.4Å; L221-L223 HydrophobicContact CB-CG 4.19Å; L221-L223 HydrophobicContact CD1-CD1 4.38Å; L223-G225 PolarHBondContact O-N 2.79Å; L223-T226 PolarHBondContact O-N 2.83Å; L223-T226 PolarHBondContact O-OG1 3.24Å; L223-G227 PolarHBondContact O-N 2.89Å | ||
| 224 | R | 91.8 | Very high | 96.8 | Very high | 165 Ų | 165 | 40.3 Ų | 40.3 | 62% | 0.623 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 133.2 | -168.1 | -60.4 | -176.2 | 171.2 | -178.3 | -3.7 | 113.9 | E213 K222 T226 N363 | E213-R224 VanDerWaalsContact OE1-CA 3.31Å; E213-R224 WeakPolarHBondContact OE1-CA 3.45Å; K222-R224 PolarHBondContact O-N 2.69Å; R224-T226 PolarHBondContact O-N 3.31Å; R224-N363 VanDerWaalsContact CB-O 3.26Å; R224-N363 WeakPolarHBondContact CB-O 3.44Å |
| 225 | G | 91.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 1.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E213 L223 Y229 R322 | E213-G225 PolarHBondContact OE1-N 2.97Å; E213-G225 PolarHBondContact OE2-N 2.8Å; L223-G225 PolarHBondContact O-N 2.79Å; G225-Y229 WeakPolarHBondContact O-CD2 3.39Å; G225-Y229 WeakPolarHBondContact O-CE2 3.42Å; G225-R322 VanDerWaalsContact CA-NH1 3.35Å; G225-R322 WeakPolarHBondContact O-CB 3.44Å; G225-R322 VanDerWaalsContact O-CD 3.24Å; G225-R322 WeakPolarHBondContact O-CD 3.39Å; G225-R322 PolarHBondContact O-NH1 2.53Å |
| 226 | T | 94.1 | Very high | 97 | Very high | 63 Ų | 63 | 38.9 Ų | 38.9 | 39% | 0.387 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -139.5 | -37.8 | -177.3 | 55.3 | 0 | 0 | 0 | 0 | 113.8 | L223 R224 Y229 R230 R322 | L223-T226 PolarHBondContact O-N 2.83Å; L223-T226 PolarHBondContact O-OG1 3.24Å; R224-T226 PolarHBondContact O-N 3.31Å; T226-Y229 PolarHBondContact O-N 2.75Å; T226-R230 PolarHBondContact O-N 3.5Å; T226-R230 VanDerWaalsContact O-N 3.14Å; T226-R322 HydrophobicContact CG2-CB 4.41Å; T226-R322 HydrophobicContact CG2-CG 3.99Å |
| 227 | G | 96.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.4 | -50.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q172 L223 Y229 R230 A231 | Q172-G227 PolarHBondContact NE2-O 3.28Å; L223-G227 PolarHBondContact O-N 2.89Å; G227-Y229 VanDerWaalsContact C-N 3.35Å; G227-Y229 PolarHBondContact O-N 2.89Å; G227-R230 PolarHBondContact O-N 3.48Å; G227-A231 WeakPolarHBondContact O-CB 2.92Å; G227-A231 PolarHBondContact O-N 3.24Å |
| 228 | A | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.1 | -47.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A208 V209 E213 R230 A231 A232 W291 | A208-A228 HydrophobicContact CB-CB 4.41Å; A208-A228 WeakPolarHBondContact O-CA 3.38Å; V209-A228 HydrophobicContact CG2-CB 4.19Å; E213-A228 HydrophobicContact CB-CB 4.07Å; A228-R230 PolarHBondContact O-N 2.93Å; A228-A231 PolarHBondContact O-N 3.28Å; A228-A232 VanDerWaalsContact O-CB 3.3Å; A228-A232 WeakPolarHBondContact O-CB 3.19Å; A228-A232 PolarHBondContact O-N 3.01Å; A228-W291 HydrophobicContact CB-CH2 3.72Å |
| 229 | Y | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.3 | -41.6 | -179.4 | -57.4 | -44.7 | 0 | 0 | 0 | 113 | G225 T226 G227 H233 W291 M305 V309 R322 L323 Y365 D368 | G225-Y229 WeakPolarHBondContact O-CD2 3.39Å; G225-Y229 WeakPolarHBondContact O-CE2 3.42Å; T226-Y229 PolarHBondContact O-N 2.75Å; G227-Y229 VanDerWaalsContact C-N 3.35Å; G227-Y229 PolarHBondContact O-N 2.89Å; Y229-H233 VanDerWaalsContact O-CB 3.28Å; Y229-H233 WeakPolarHBondContact O-CB 3.28Å; Y229-H233 PolarHBondContact O-N 2.84Å; Y229-H233 VanDerWaalsContact O-N 3.08Å; Y229-W291 AromaticContact CD1-CH2 4Å; Y229-W291 HydrophobicContact CD1-CH2 4Å; Y229-W291 AromaticContact CD1-CZ2 3.52Å; Y229-W291 HydrophobicContact CD1-CZ2 3.52Å; Y229-W291 HydrophobicContact CE1-CH2 4.26Å; Y229-W291 HydrophobicContact CE1-CZ2 4.09Å; Y229-M305 HydrophobicContact CD1-CE 3.84Å; Y229-M305 HydrophobicContact CE1-CE 3.38Å; Y229-V309 HydrophobicContact CD2-CG1 4.46Å; Y229-V309 HydrophobicContact CE1-CG2 4.3Å; Y229-V309 HydrophobicContact CE2-CG1 3.89Å; Y229-V309 HydrophobicContact CE2-CG2 4.29Å; Y229-V309 WeakPolarHBondContact OH-CG2 3.48Å; Y229-R322 HydrophobicContact CD2-CB 4.17Å; Y229-R322 HydrophobicContact CE2-CB 4.45Å; Y229-L323 HydrophobicContact CD1-CD1 3.85Å; Y229-L323 HydrophobicContact CG-CD1 4.17Å; Y229-Y365 HydrophobicContact CE1-CD2 4.11Å; Y229-D368 WeakPolarHBondContact CE2-OD2 3.47Å; Y229-D368 WeakPolarHBondContact OH-CB 3.4Å; Y229-D368 PolarHBondContact OH-OD2 3.48Å |
| 230 | R | 98.6 | Very high | 97.3 | Very high | 133 Ų | 133 | 34 Ų | 34 | 50% | 0.502 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -69.3 | -43.6 | 177.1 | -170.7 | 174.6 | -62.8 | 175.3 | -0.5 | 112.3 | Q172 T226 G227 A228 H233 H234 | Q172-R230 VanDerWaalsContact O-CD 3.24Å; Q172-R230 WeakPolarHBondContact O-CD 3.43Å; T226-R230 PolarHBondContact O-N 3.5Å; T226-R230 VanDerWaalsContact O-N 3.14Å; G227-R230 PolarHBondContact O-N 3.48Å; A228-R230 PolarHBondContact O-N 2.93Å; R230-H233 PolarHBondContact O-N 3.22Å; R230-H234 PolarHBondContact O-N 2.97Å; R230-H234 PolarHBondContact O-ND1 3.04Å |
| 231 | A | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.1 | -51.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | W171 A208 Y212 G227 A228 H233 H234 I235 | W171-A231 HydrophobicContact CB-CB 3.88Å; W171-A231 WeakPolarHBondContact O-CA 3.39Å; A208-A231 HydrophobicContact CB-CB 4.21Å; Y212-A231 HydrophobicContact CD2-CB 3.72Å; Y212-A231 HydrophobicContact CE2-CB 4.18Å; Y212-A231 HydrophobicContact CG-CB 4.14Å; G227-A231 WeakPolarHBondContact O-CB 2.92Å; G227-A231 PolarHBondContact O-N 3.24Å; A228-A231 PolarHBondContact O-N 3.28Å; A231-H233 VanDerWaalsContact C-N 3.29Å; A231-H233 PolarHBondContact O-N 3.21Å; A231-H234 PolarHBondContact O-N 3.47Å; A231-I235 VanDerWaalsContact O-CG1 3.31Å; A231-I235 WeakPolarHBondContact O-CG1 3.17Å; A231-I235 PolarHBondContact O-N 2.98Å |
| 232 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.4 | -40.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A208 A228 H234 I235 I236 W291 F292 | A208-A232 HydrophobicContact CB-CB 4.15Å; A228-A232 VanDerWaalsContact O-CB 3.3Å; A228-A232 WeakPolarHBondContact O-CB 3.19Å; A228-A232 PolarHBondContact O-N 3.01Å; A232-H234 PolarHBondContact O-N 3.4Å; A232-I235 PolarHBondContact O-N 3.31Å; A232-I236 WeakPolarHBondContact O-CD1 3.44Å; A232-I236 VanDerWaalsContact O-CG1 3.3Å; A232-I236 WeakPolarHBondContact O-CG1 3.42Å; A232-I236 PolarHBondContact O-N 3.07Å; A232-W291 HydrophobicContact CB-CD2 4.47Å; A232-W291 HydrophobicContact CB-CH2 3.97Å; A232-W291 HydrophobicContact CB-CZ2 3.23Å; A232-F292 HydrophobicContact CB-CE1 3.67Å; A232-F292 HydrophobicContact CB-CZ 3.65Å |
| 233 | H | 98.9 | Very high | 97.6 | Very high | 14 Ų | 14 | 28 Ų | 28 | 7% | 0.065 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.5 | -43.7 | 177.4 | -169.2 | 80.1 | 0 | 0 | 0 | 112.6 | Y229 R230 A231 K237 Y301 P324 F326 | Y229-H233 VanDerWaalsContact O-CB 3.28Å; Y229-H233 WeakPolarHBondContact O-CB 3.28Å; Y229-H233 PolarHBondContact O-N 2.84Å; Y229-H233 VanDerWaalsContact O-N 3.08Å; R230-H233 PolarHBondContact O-N 3.22Å; A231-H233 VanDerWaalsContact C-N 3.29Å; A231-H233 PolarHBondContact O-N 3.21Å; H233-K237 VanDerWaalsContact O-CG 3.29Å; H233-K237 WeakPolarHBondContact O-CG 3.47Å; H233-K237 PolarHBondContact O-N 2.92Å; H233-Y301 VanDerWaalsContact CA-OH 3.28Å; H233-Y301 WeakPolarHBondContact CA-OH 3.45Å; H233-Y301 WeakPolarHBondContact CB-OH 3.44Å; H233-Y301 AromaticContact ND1-CE2 3.87Å; H233-Y301 AromaticContact ND1-CZ 3.8Å; H233-Y301 PolarHBondContact ND1-OH 2.96Å; H233-P324 HydrophobicContact CB-CB 4.22Å; H233-P324 HydrophobicContact CB-CG 4.04Å; H233-F326 AromaticContact CE1-CD1 3.17Å; H233-F326 WeakPolarHBondContact CE1-CD1 3.38Å; H233-F326 AromaticContact CE1-CE1 3.09Å; H233-F326 WeakPolarHBondContact CE1-CE1 3.29Å; H233-F326 AromaticContact CE1-CG 3.93Å; H233-F326 AromaticContact CE1-CZ 3.81Å; H233-F326 AromaticContact ND1-CD1 3.76Å; H233-F326 AromaticContact ND1-CE1 3.21Å; H233-F326 WeakPolarHBondContact ND1-CE1 3.36Å; H233-F326 AromaticContact ND1-CZ 3.5Å; H233-F326 WeakPolarHBondContact ND1-CZ 3.5Å; H233-F326 AromaticContact NE2-CD1 3.94Å; H233-F326 AromaticContact NE2-CE1 3.84Å |
| 234 | H | 98.9 | Very high | 97.8 | Very high | 19 Ų | 19 | 27 Ų | 27 | 9% | 0.088 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -72.4 | -36.5 | 176.3 | -62.5 | 151.2 | 0 | 0 | 0 | 112.8 | W171 Q172 I174 R230 A231 A232 K237 A238 | W171-H234 HydrophobicContact CE3-CB 4.48Å; W171-H234 PolarHBondContact O-ND1 3.38Å; Q172-H234 PolarHBondContact O-CE1 3.01Å; I174-H234 WeakPolarHBondContact CD1-CD2 3.31Å; I174-H234 PolarHBondContact N-CE1 3.3Å; R230-H234 PolarHBondContact O-N 2.97Å; R230-H234 PolarHBondContact O-ND1 3.04Å; A231-H234 PolarHBondContact O-N 3.47Å; A232-H234 PolarHBondContact O-N 3.4Å; H234-K237 PolarHBondContact O-N 2.72Å; H234-A238 VanDerWaalsContact O-CB 3.3Å; H234-A238 WeakPolarHBondContact O-CB 3.45Å; H234-A238 PolarHBondContact O-N 3.04Å |
| 235 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.3 | -45.5 | 176.2 | -71.7 | 166.3 | 0 | 0 | 0 | 111.1 | W171 F201 P204 V207 A231 A232 K237 A238 H239 F292 | W171-I235 HydrophobicContact CD2-CD1 4.19Å; W171-I235 HydrophobicContact CD2-CG1 3.63Å; W171-I235 HydrophobicContact CE3-CG1 3.54Å; W171-I235 HydrophobicContact CG-CD1 4.18Å; W171-I235 HydrophobicContact CG-CG1 4.08Å; W171-I235 HydrophobicContact CZ3-CG1 4.02Å; F201-I235 HydrophobicContact CD1-CG2 3.77Å; F201-I235 HydrophobicContact CD2-CG2 3.95Å; F201-I235 HydrophobicContact CE1-CB 4.47Å; F201-I235 HydrophobicContact CE1-CG1 4.19Å; F201-I235 HydrophobicContact CE1-CG2 3.83Å; F201-I235 HydrophobicContact CE2-CG2 4.01Å; F201-I235 HydrophobicContact CG-CG2 3.86Å; F201-I235 HydrophobicContact CZ-CG2 3.96Å; P204-I235 HydrophobicContact CB-CG2 3.7Å; V207-I235 HydrophobicContact CB-CD1 4.1Å; V207-I235 HydrophobicContact CG1-CD1 3.8Å; A231-I235 VanDerWaalsContact O-CG1 3.31Å; A231-I235 WeakPolarHBondContact O-CG1 3.17Å; A231-I235 PolarHBondContact O-N 2.98Å; A232-I235 PolarHBondContact O-N 3.31Å; I235-K237 VanDerWaalsContact C-N 3.34Å; I235-K237 PolarHBondContact O-N 2.63Å; I235-A238 WeakPolarHBondContact O-CB 3.22Å; I235-A238 PolarHBondContact O-N 3.46Å; I235-H239 PolarHBondContact O-N 3.14Å; I235-F292 HydrophobicContact CG2-CE1 4.47Å |
| 236 | I | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 177.6 | -68.4 | 160 | 0 | 0 | 0 | 110.7 | A232 A238 H239 A240 F292 P295 Y301 F326 I334 | A232-I236 WeakPolarHBondContact O-CD1 3.44Å; A232-I236 VanDerWaalsContact O-CG1 3.3Å; A232-I236 WeakPolarHBondContact O-CG1 3.42Å; A232-I236 PolarHBondContact O-N 3.07Å; I236-A238 VanDerWaalsContact C-N 3.34Å; I236-A238 PolarHBondContact O-N 2.82Å; I236-H239 PolarHBondContact O-N 2.92Å; I236-A240 PolarHBondContact O-N 3.22Å; I236-F292 HydrophobicContact CD1-CD1 4.08Å; I236-F292 HydrophobicContact CD1-CE1 4.49Å; I236-F292 HydrophobicContact CG1-CD1 3.83Å; I236-F292 HydrophobicContact CG1-CE1 4.37Å; I236-P295 HydrophobicContact CD1-CB 4.37Å; I236-P295 HydrophobicContact CD1-CG 4.04Å; I236-P295 HydrophobicContact CG2-CB 3.94Å; I236-Y301 HydrophobicContact CD1-CE1 3.62Å; I236-F326 HydrophobicContact CB-CZ 4.29Å; I236-F326 HydrophobicContact CD1-CZ 4.31Å; I236-F326 HydrophobicContact CG2-CZ 3.9Å; I236-I334 HydrophobicContact CG2-CD1 4.01Å; I236-I334 HydrophobicContact CG2-CG1 4.36Å; I236-I334 HydrophobicContact CG2-CG2 3.67Å |
| 237 | K | 98.9 | Very high | 98.7 | Very high | 41 Ų | 41 | 19.6 Ų | 19.6 | 18% | 0.178 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.5 | -38.6 | 176.3 | -67.7 | 172.2 | 78 | 166.2 | 0 | 112.1 | I174 V177 H233 H234 I235 K241 F326 E330 I334 | I174-K237 HydrophobicContact CD1-CD 4.04Å; V177-K237 HydrophobicContact CG2-CB 3.86Å; H233-K237 VanDerWaalsContact O-CG 3.29Å; H233-K237 WeakPolarHBondContact O-CG 3.47Å; H233-K237 PolarHBondContact O-N 2.92Å; H234-K237 PolarHBondContact O-N 2.72Å; I235-K237 VanDerWaalsContact C-N 3.34Å; I235-K237 PolarHBondContact O-N 2.63Å; K237-K241 WeakPolarHBondContact O-CB 3.45Å; K237-K241 PolarHBondContact O-N 2.96Å; K237-F326 HydrophobicContact CD-CE1 4.34Å; K237-F326 HydrophobicContact CG-CE1 4.03Å; K237-E330 WeakPolarHBondContact CE-OE1 3.44Å; K237-E330 IonicContact NZ-OE1 2.6Å; K237-E330 PolarHBondContact NZ-OE1 2.75Å; K237-I334 HydrophobicContact CG-CD1 4.42Å |
| 238 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.7 | -44 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | W171 V177 F180 F201 H234 I235 I236 K241 V242 | W171-A238 HydrophobicContact CH2-CB 4.33Å; W171-A238 HydrophobicContact CZ3-CB 3.9Å; V177-A238 HydrophobicContact CB-CB 4.46Å; V177-A238 HydrophobicContact CG2-CB 4.17Å; F180-A238 HydrophobicContact CD1-CB 3.94Å; F201-A238 HydrophobicContact CE2-CB 4.14Å; F201-A238 HydrophobicContact CZ-CB 3.92Å; H234-A238 VanDerWaalsContact O-CB 3.3Å; H234-A238 WeakPolarHBondContact O-CB 3.45Å; H234-A238 PolarHBondContact O-N 3.04Å; I235-A238 WeakPolarHBondContact O-CB 3.22Å; I235-A238 PolarHBondContact O-N 3.46Å; I236-A238 VanDerWaalsContact C-N 3.34Å; I236-A238 PolarHBondContact O-N 2.82Å; A238-K241 PolarHBondContact O-N 3.43Å; A238-V242 WeakPolarHBondContact O-CG2 3.49Å; A238-V242 PolarHBondContact O-N 3.37Å |
| 239 | H | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.1 | -53.3 | 173.8 | 165.4 | 71.1 | 0 | 0 | 0 | 111.5 | T200 F201 I235 I236 K241 V242 W243 I260 T337 | T200-H239 PolarHBondContact OG1-ND1 2.84Å; F201-H239 HydrophobicContact CD2-CB 3.99Å; F201-H239 HydrophobicContact CE2-CB 3.98Å; I235-H239 PolarHBondContact O-N 3.14Å; I236-H239 PolarHBondContact O-N 2.92Å; H239-K241 VanDerWaalsContact C-N 3.3Å; H239-K241 PolarHBondContact O-N 3.21Å; H239-V242 PolarHBondContact O-N 3.4Å; H239-V242 VanDerWaalsContact O-N 3.15Å; H239-W243 PolarHBondContact O-N 2.87Å; H239-I260 HydrophobicContact CB-CD1 4.41Å; H239-T337 PolarHBondContact CE1-O 2.86Å; H239-T337 VanDerWaalsContact CE1-O 3.29Å; H239-T337 PolarHBondContact NE2-O 2.65Å; H239-T337 PolarHBondContact NE2-OG1 3Å |
| 240 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.2 | -44.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I236 V242 W243 H244 Y333 I334 T337 | I236-A240 PolarHBondContact O-N 3.22Å; A240-V242 PolarHBondContact O-N 2.87Å; A240-W243 PolarHBondContact O-N 2.78Å; A240-H244 PolarHBondContact O-CD2 2.92Å; A240-H244 PolarHBondContact O-N 3.42Å; A240-Y333 HydrophobicContact CB-CD1 4.03Å; A240-Y333 HydrophobicContact CB-CE1 4.01Å; A240-I334 HydrophobicContact CB-CB 4.3Å; A240-I334 HydrophobicContact CB-CG1 3.89Å; A240-I334 HydrophobicContact CB-CG2 4.47Å; A240-T337 HydrophobicContact CB-CG2 3.96Å |
| 241 | K | 98.9 | Very high | 98.9 | Very high | 54 Ų | 54 | 27.2 Ų | 27.2 | 24% | 0.235 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.2 | -43.2 | 177.5 | -173.8 | 174.4 | 175.8 | 161.6 | 0 | 112.7 | V177 N178 N181 K237 A238 H239 H244 T245 | V177-K241 HydrophobicContact CG1-CB 4.09Å; V177-K241 HydrophobicContact CG1-CD 3.61Å; V177-K241 HydrophobicContact CG1-CG 4.47Å; N178-K241 PolarHBondContact OD1-NZ 3.19Å; N181-K241 HydrophobicContact CB-CD 3.9Å; N181-K241 HydrophobicContact CB-CG 4.1Å; N181-K241 PolarHBondContact OD1-O 2.88Å; K237-K241 WeakPolarHBondContact O-CB 3.45Å; K237-K241 PolarHBondContact O-N 2.96Å; A238-K241 PolarHBondContact O-N 3.43Å; H239-K241 VanDerWaalsContact C-N 3.3Å; H239-K241 PolarHBondContact O-N 3.21Å; K241-H244 PolarHBondContact O-N 3.36Å; K241-T245 PolarHBondContact O-N 3.49Å; K241-T245 PolarHBondContact O-OG1 3.01Å; K241-T245 VanDerWaalsContact O-OG1 3.11Å |
| 242 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.3 | -42.3 | 177.7 | 169 | 0 | 0 | 0 | 0 | 111.7 | L155 F180 N181 A184 F188 T200 A238 H239 A240 T245 Y246 | L155-V242 HydrophobicContact CD1-CG1 4.13Å; F180-V242 HydrophobicContact CD1-CG2 3.64Å; F180-V242 HydrophobicContact CE1-CB 4.47Å; F180-V242 HydrophobicContact CE1-CG2 3.64Å; N181-V242 HydrophobicContact CB-CG2 4.28Å; A184-V242 HydrophobicContact CB-CB 4.3Å; A184-V242 HydrophobicContact CB-CG1 3.67Å; A184-V242 HydrophobicContact CB-CG2 3.59Å; F188-V242 HydrophobicContact CE2-CG1 3.86Å; F188-V242 HydrophobicContact CZ-CG1 3.63Å; T200-V242 HydrophobicContact CG2-CB 4.1Å; T200-V242 HydrophobicContact CG2-CG1 3.63Å; A238-V242 WeakPolarHBondContact O-CG2 3.49Å; A238-V242 PolarHBondContact O-N 3.37Å; H239-V242 PolarHBondContact O-N 3.4Å; H239-V242 VanDerWaalsContact O-N 3.15Å; A240-V242 PolarHBondContact O-N 2.87Å; V242-T245 PolarHBondContact O-N 3.22Å; V242-Y246 PolarHBondContact O-N 3.19Å |
| 243 | W | 98.9 | Very high | 98.8 | Very high | 31 Ų | 31 | 38.9 Ų | 38.9 | 12% | 0.117 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.7 | -47.7 | 175.7 | -175.8 | 97.3 | 0 | 0 | 0 | 111.4 | H239 A240 T245 Y246 D247 V258 T337 D339 | H239-W243 PolarHBondContact O-N 2.87Å; A240-W243 PolarHBondContact O-N 2.78Å; W243-T245 PolarHBondContact O-N 3.1Å; W243-Y246 WeakPolarHBondContact O-CB 3.27Å; W243-Y246 PolarHBondContact O-N 2.8Å; W243-Y246 VanDerWaalsContact O-N 3.17Å; W243-D247 HydrophobicContact CE3-CB 4.17Å; W243-D247 HydrophobicContact CH2-CB 4.07Å; W243-D247 HydrophobicContact CZ3-CB 3.88Å; W243-D247 WeakPolarHBondContact O-CB 3.38Å; W243-D247 PolarHBondContact O-N 2.94Å; W243-V258 HydrophobicContact CB-CG1 4.42Å; W243-T337 HydrophobicContact CB-CG2 4.42Å; W243-T337 HydrophobicContact CD2-CG2 4.18Å; W243-T337 HydrophobicContact CE3-CG2 3.87Å; W243-T337 HydrophobicContact CG-CG2 4.42Å; W243-D339 PolarHBondContact NE1-OD1 2.77Å |
| 244 | H | 98.9 | Very high | 98.8 | Very high | 45 Ų | 45 | 39 Ų | 39 | 21% | 0.208 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.6 | -38.1 | 177.6 | -79.6 | -68.5 | 0 | 0 | 0 | 112.6 | A240 K241 D247 T248 Y333 | A240-H244 PolarHBondContact O-CD2 2.92Å; A240-H244 PolarHBondContact O-N 3.42Å; K241-H244 PolarHBondContact O-N 3.36Å; H244-D247 PolarHBondContact O-N 3.14Å; H244-T248 WeakPolarHBondContact O-CB 3.46Å; H244-T248 WeakPolarHBondContact O-CG2 3.31Å; H244-T248 PolarHBondContact O-N 3.03Å; H244-T248 PolarHBondContact O-OG1 3.33Å; H244-Y333 AromaticContact CD2-CD2 3.98Å; H244-Y333 AromaticContact CD2-CE1 3.52Å; H244-Y333 AromaticContact CD2-CE2 3.49Å; H244-Y333 VanDerWaalsContact CD2-CE2 3.49Å; H244-Y333 WeakPolarHBondContact CD2-CE2 3.49Å; H244-Y333 AromaticContact CD2-CZ 3.24Å; H244-Y333 AromaticContact CG-CE2 3.92Å; H244-Y333 AromaticContact CG-CZ 3.79Å; H244-Y333 AromaticContact NE2-CD2 3.87Å; H244-Y333 AromaticContact NE2-CE2 3.83Å; H244-Y333 AromaticContact NE2-CZ 3.98Å; H244-Y333 PolarHBondContact NE2-O 3.24Å |
| 245 | T | 98.9 | Very high | 98.8 | Very high | 10 Ų | 10 | 46.4 Ų | 46.4 | 6% | 0.061 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.2 | -44.3 | 173.3 | -66.7 | 0 | 0 | 0 | 0 | 111.1 | N181 N185 K241 V242 W243 Q249 | N181-T245 PolarHBondContact ND2-OG1 3.4Å; N181-T245 WeakPolarHBondContact OD1-CB 3.44Å; N181-T245 PolarHBondContact OD1-OG1 2.78Å; N185-T245 HydrophobicContact CB-CG2 4.07Å; K241-T245 PolarHBondContact O-N 3.49Å; K241-T245 PolarHBondContact O-OG1 3.01Å; K241-T245 VanDerWaalsContact O-OG1 3.11Å; V242-T245 PolarHBondContact O-N 3.22Å; W243-T245 PolarHBondContact O-N 3.1Å; T245-Q249 VanDerWaalsContact O-CB 3.29Å; T245-Q249 WeakPolarHBondContact O-CB 3.26Å; T245-Q249 PolarHBondContact O-N 2.7Å |
| 246 | Y | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -63.2 | -48.9 | 176 | -169.1 | -94.9 | 0 | 0 | 0 | 111.6 | F188 W198 V242 W243 T248 W250 R251 Q254 G256 V258 | F188-Y246 HydrophobicContact CB-CD2 4.43Å; F188-Y246 AromaticContact CD1-CD2 3.67Å; F188-Y246 HydrophobicContact CD1-CD2 3.67Å; F188-Y246 AromaticContact CD1-CE2 3.98Å; F188-Y246 HydrophobicContact CD1-CE2 3.98Å; F188-Y246 AromaticContact CD2-CD2 3.76Å; F188-Y246 HydrophobicContact CD2-CD2 3.76Å; F188-Y246 AromaticContact CE1-CD2 3.72Å; F188-Y246 HydrophobicContact CE1-CD2 3.72Å; F188-Y246 HydrophobicContact CE1-CE2 4.26Å; F188-Y246 AromaticContact CE2-CD2 3.81Å; F188-Y246 HydrophobicContact CE2-CD2 3.81Å; F188-Y246 HydrophobicContact CE2-CG 4.3Å; F188-Y246 AromaticContact CG-CD2 3.7Å; F188-Y246 HydrophobicContact CG-CD2 3.7Å; F188-Y246 HydrophobicContact CG-CE2 4.21Å; F188-Y246 AromaticContact CZ-CD2 3.78Å; F188-Y246 HydrophobicContact CZ-CD2 3.78Å; F188-Y246 HydrophobicContact CZ-CG 4.32Å; W198-Y246 AromaticContact CD1-CE2 3.98Å; W198-Y246 AromaticContact NE1-CE2 3.94Å; V242-Y246 PolarHBondContact O-N 3.19Å; W243-Y246 WeakPolarHBondContact O-CB 3.27Å; W243-Y246 PolarHBondContact O-N 2.8Å; W243-Y246 VanDerWaalsContact O-N 3.17Å; Y246-T248 PolarHBondContact O-N 2.88Å; Y246-W250 HydrophobicContact CD2-CB 3.81Å; Y246-W250 HydrophobicContact CD2-CG 4.44Å; Y246-W250 HydrophobicContact CE2-CB 3.86Å; Y246-W250 HydrophobicContact CG-CB 4.31Å; Y246-W250 CarbonylContact O-C 3.57Å; Y246-W250 WeakPolarHBondContact O-CA 3.42Å; Y246-W250 PolarHBondContact O-N 2.76Å; Y246-R251 HydrophobicContact CD1-CB 4Å; Y246-R251 HydrophobicContact CD1-CG 4.47Å; Y246-R251 HydrophobicContact CE1-CB 3.93Å; Y246-R251 HydrophobicContact CE1-CG 4.15Å; Y246-R251 PolarHBondContact O-N 2.89Å; Y246-Q254 VanDerWaalsContact CE2-OE1 3.27Å; Y246-Q254 WeakPolarHBondContact OH-CB 3.15Å; Y246-Q254 PolarHBondContact OH-OE1 2.94Å; Y246-G256 WeakPolarHBondContact CE1-O 3.28Å; Y246-G256 WeakPolarHBondContact OH-CA 3.5Å; Y246-G256 PolarHBondContact OH-N 3.41Å; Y246-V258 HydrophobicContact CD1-CG2 3.41Å; Y246-V258 VanDerWaalsContact CD1-CG2 3.41Å; Y246-V258 HydrophobicContact CD2-CG2 3.89Å; Y246-V258 HydrophobicContact CE1-CG2 4.02Å; Y246-V258 HydrophobicContact CE2-CG2 4.44Å; Y246-V258 HydrophobicContact CG-CG2 3.34Å |
| 247 | D | 98.8 | Very high | 98.7 | Very high | 63 Ų | 63 | 48.8 Ų | 48.8 | 34% | 0.337 | 25% | 0.247 | S | C | . | . | I | π-helix | trans | -57.2 | -48.9 | -177.8 | -170 | 63.2 | 0 | 0 | 0 | 112.1 | W243 H244 R251 | W243-D247 HydrophobicContact CE3-CB 4.17Å; W243-D247 HydrophobicContact CH2-CB 4.07Å; W243-D247 HydrophobicContact CZ3-CB 3.88Å; W243-D247 WeakPolarHBondContact O-CB 3.38Å; W243-D247 PolarHBondContact O-N 2.94Å; H244-D247 PolarHBondContact O-N 3.14Å; D247-R251 WeakPolarHBondContact OD1-CD 3.24Å; D247-R251 IonicContact OD1-CZ 2.77Å; D247-R251 IonicContact OD1-NE 2.63Å; D247-R251 PolarHBondContact OD1-NE 2.88Å; D247-R251 IonicContact OD1-NH2 3.18Å |
| 248 | T | 98.6 | Very high | 98.7 | Very high | 102 Ų | 102 | 46.9 Ų | 46.9 | 63% | 0.626 | 24% | 0.239 | S | C | * | . | I | π-helix | trans | -80 | -33.3 | -174.4 | 57.1 | 0 | 0 | 0 | 0 | 114 | H244 Y246 | H244-T248 WeakPolarHBondContact O-CB 3.46Å; H244-T248 WeakPolarHBondContact O-CG2 3.31Å; H244-T248 PolarHBondContact O-N 3.03Å; H244-T248 PolarHBondContact O-OG1 3.33Å; Y246-T248 PolarHBondContact O-N 2.88Å |
| 249 | Q | 98.7 | Very high | 98.7 | Very high | 101 Ų | 101 | 46.9 Ų | 46.9 | 47% | 0.472 | 24% | 0.239 | S | C | . | . | I | π-helix | trans | -105.9 | -30.3 | -171.3 | -56.3 | -176.6 | 22 | 0 | 0 | 113.8 | T245 | T245-Q249 VanDerWaalsContact O-CB 3.29Å; T245-Q249 WeakPolarHBondContact O-CB 3.26Å; T245-Q249 PolarHBondContact O-N 2.7Å |
| 250 | W | 98.8 | Very high | 98.7 | Very high | 43 Ų | 43 | 47 Ų | 47 | 16% | 0.163 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -121.7 | -35.9 | -165.2 | -61.9 | 106.2 | 0 | 0 | 0 | 114.1 | N185 F188 E189 Y246 G252 K253 Q254 | N185-W250 PolarHBondContact OD1-NE1 2.95Å; F188-W250 HydrophobicContact CB-CD2 4.05Å; F188-W250 HydrophobicContact CB-CG 3.91Å; F188-W250 AromaticContact CD2-CD1 3.78Å; E189-W250 VanDerWaalsContact CA-CH2 3.45Å; E189-W250 HydrophobicContact CB-CH2 3.62Å; E189-W250 HydrophobicContact CB-CZ2 3.74Å; E189-W250 HydrophobicContact CG-CH2 3.84Å; E189-W250 HydrophobicContact CG-CZ2 4.31Å; Y246-W250 HydrophobicContact CD2-CB 3.81Å; Y246-W250 HydrophobicContact CD2-CG 4.44Å; Y246-W250 HydrophobicContact CE2-CB 3.86Å; Y246-W250 HydrophobicContact CG-CB 4.31Å; Y246-W250 CarbonylContact O-C 3.57Å; Y246-W250 WeakPolarHBondContact O-CA 3.42Å; Y246-W250 PolarHBondContact O-N 2.76Å; W250-G252 VanDerWaalsContact C-N 3.3Å; W250-G252 PolarHBondContact O-N 2.74Å; W250-K253 PolarHBondContact O-N 2.92Å; W250-Q254 HydrophobicContact CB-CG 4.46Å; W250-Q254 HydrophobicContact CE3-CG 4.44Å; W250-Q254 WeakPolarHBondContact O-CB 3.49Å; W250-Q254 PolarHBondContact O-N 2.67Å |
| 251 | R | 98.5 | Very high | 98.7 | Very high | 46 Ų | 46 | 47 Ų | 47 | 17% | 0.174 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57 | -41.4 | -171 | -168.8 | -177.5 | -58.6 | -78.8 | 12.2 | 112.7 | Y246 D247 K253 K255 G256 D339 | Y246-R251 HydrophobicContact CD1-CB 4Å; Y246-R251 HydrophobicContact CD1-CG 4.47Å; Y246-R251 HydrophobicContact CE1-CB 3.93Å; Y246-R251 HydrophobicContact CE1-CG 4.15Å; Y246-R251 PolarHBondContact O-N 2.89Å; D247-R251 WeakPolarHBondContact OD1-CD 3.24Å; D247-R251 IonicContact OD1-CZ 2.77Å; D247-R251 IonicContact OD1-NE 2.63Å; D247-R251 PolarHBondContact OD1-NE 2.88Å; D247-R251 IonicContact OD1-NH2 3.18Å; R251-K253 PolarHBondContact O-N 3.38Å; R251-K255 WeakPolarHBondContact O-CA 3.12Å; R251-K255 PolarHBondContact O-N 3.49Å; R251-G256 PolarHBondContact NH1-O 3.13Å; R251-D339 IonicContact CZ-OD1 2.79Å; R251-D339 IonicContact CZ-OD2 3.27Å; R251-D339 VanDerWaalsContact CZ-OD2 3.22Å; R251-D339 IonicContact NH1-OD1 3.88Å; R251-D339 IonicContact NH1-OD2 2.69Å; R251-D339 PolarHBondContact NH1-OD2 2.68Å; R251-D339 IonicContact NH2-OD1 3.74Å; R251-D339 PolarHBondContact NH2-OD1 3.18Å; R251-D339 IonicContact NH2-OD2 3.34Å; R251-D339 PolarHBondContact NH2-OD2 2.92Å |
| 252 | G | 98.3 | Very high | 98.7 | Very high | 71 Ų | 71 | 44.6 Ų | 44.6 | 73% | 0.732 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -59 | -32.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | W250 | W250-G252 VanDerWaalsContact C-N 3.3Å; W250-G252 PolarHBondContact O-N 2.74Å |
| 253 | K | 98.1 | Very high | 98.5 | Very high | 174 Ų | 174 | 45 Ų | 45 | 76% | 0.757 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -93.7 | -44.2 | 179.7 | -61.5 | -179 | -176.2 | 174.5 | 0 | 112.3 | W250 R251 | W250-K253 PolarHBondContact O-N 2.92Å; R251-K253 PolarHBondContact O-N 3.38Å |
| 254 | Q | 98.5 | Very high | 98.2 | Very high | 16 Ų | 16 | 43.6 Ų | 43.6 | 8% | 0.075 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -92.5 | -26.6 | -167.8 | -65.9 | -175.9 | -7.6 | 0 | 0 | 113.4 | F188 G192 K196 Y246 W250 G256 | F188-Q254 PolarHBondContact O-NE2 3.12Å; G192-Q254 VanDerWaalsContact CA-CD 3.47Å; G192-Q254 WeakPolarHBondContact O-CB 3.33Å; G192-Q254 VanDerWaalsContact O-CD 3.29Å; G192-Q254 VanDerWaalsContact O-CG 3.31Å; G192-Q254 WeakPolarHBondContact O-CG 3.47Å; G192-Q254 PolarHBondContact O-OE1 3.07Å; K196-Q254 VanDerWaalsContact CD-O 3.28Å; K196-Q254 WeakPolarHBondContact CD-O 3.36Å; K196-Q254 WeakPolarHBondContact CE-O 3.38Å; K196-Q254 PolarHBondContact NZ-O 3.06Å; Y246-Q254 VanDerWaalsContact CE2-OE1 3.27Å; Y246-Q254 WeakPolarHBondContact OH-CB 3.15Å; Y246-Q254 PolarHBondContact OH-OE1 2.94Å; W250-Q254 HydrophobicContact CB-CG 4.46Å; W250-Q254 HydrophobicContact CE3-CG 4.44Å; W250-Q254 WeakPolarHBondContact O-CB 3.49Å; W250-Q254 PolarHBondContact O-N 2.67Å; Q254-G256 PolarHBondContact O-N 3.15Å |
| 255 | K | 98.4 | Very high | 98 | Very high | 175 Ų | 175 | 42.2 Ų | 42.2 | 76% | 0.761 | 22% | 0.221 | S | C | * | . | trans | 54.4 | 29.4 | 178 | -54.2 | -179.4 | -179.9 | 179.4 | 0 | 114.5 | R251 | R251-K255 WeakPolarHBondContact O-CA 3.12Å; R251-K255 PolarHBondContact O-N 3.49Å | ||
| 256 | G | 98.4 | Very high | 97.9 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | trans | -87.8 | 180 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | K196 Y246 R251 Q254 | K196-G256 CarbonylContact O-C 3.56Å; K196-G256 VanDerWaalsContact O-CA 3.22Å; K196-G256 WeakPolarHBondContact O-CA 3.46Å; Y246-G256 WeakPolarHBondContact CE1-O 3.28Å; Y246-G256 WeakPolarHBondContact OH-CA 3.5Å; Y246-G256 PolarHBondContact OH-N 3.41Å; R251-G256 PolarHBondContact NH1-O 3.13Å; Q254-G256 PolarHBondContact O-N 3.15Å | ||
| 257 | L | 98.8 | Very high | 97.8 | Very high | 50 Ų | 50 | 41.8 Ų | 41.8 | 26% | 0.262 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 143.3 | 179.4 | -54.4 | 175.9 | 0 | 0 | 0 | 110 | K196 W198 D339 F340 M409 | K196-L257 PolarHBondContact O-N 3.15Å; W198-L257 PolarHBondContact N-O 2.91Å; L257-D339 WeakPolarHBondContact CA-OD2 3.09Å; L257-D339 HydrophobicContact CB-CB 4Å; L257-D339 HydrophobicContact CD2-CB 4.03Å; L257-F340 HydrophobicContact CB-CD1 3.83Å; L257-F340 HydrophobicContact CB-CE1 4.03Å; L257-F340 HydrophobicContact CD1-CD1 4.49Å; L257-M409 HydrophobicContact CD1-SD 4.39Å |
| 258 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 121.2 | 175.7 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | F188 W198 T200 W243 Y246 D339 | F188-V258 HydrophobicContact CZ-CG2 4.5Å; W198-V258 HydrophobicContact CB-CG2 4.14Å; W198-V258 WeakPolarHBondContact O-CA 3.25Å; T200-V258 HydrophobicContact CG2-CG1 3.74Å; W243-V258 HydrophobicContact CB-CG1 4.42Å; Y246-V258 HydrophobicContact CD1-CG2 3.41Å; Y246-V258 VanDerWaalsContact CD1-CG2 3.41Å; Y246-V258 HydrophobicContact CD2-CG2 3.89Å; Y246-V258 HydrophobicContact CE1-CG2 4.02Å; Y246-V258 HydrophobicContact CE2-CG2 4.44Å; Y246-V258 HydrophobicContact CG-CG2 3.34Å; V258-D339 PolarHBondContact N-OD2 2.82Å; V258-D339 WeakPolarHBondContact O-CB 3.28Å; V258-D339 PolarHBondContact O-N 2.63Å |
| 259 | G | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | -171 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | W198 I199 T200 F340 | W198-G259 PolarHBondContact O-N 2.87Å; I199-G259 WeakPolarHBondContact CA-O 3.37Å; T200-G259 PolarHBondContact N-O 2.91Å; T200-G259 PolarHBondContact OG1-O 2.75Å; G259-F340 WeakPolarHBondContact CA-O 2.78Å |
| 260 | I | 98.9 | Very high | 97.5 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.015 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 145.2 | 174.9 | -169.1 | 167.9 | 0 | 0 | 0 | 109 | F201 P204 H239 L262 I296 L341 G342 | F201-I260 HydrophobicContact CB-CD1 4.11Å; F201-I260 HydrophobicContact CB-CG1 4.09Å; F201-I260 HydrophobicContact CD2-CD1 4.44Å; P204-I260 HydrophobicContact CG-CD1 4.34Å; H239-I260 HydrophobicContact CB-CD1 4.41Å; I260-L262 HydrophobicContact CD1-CD2 3.83Å; I260-L262 HydrophobicContact CG1-CD2 3.84Å; I260-L262 HydrophobicContact CG2-CD1 4.48Å; I260-L262 HydrophobicContact CG2-CD2 4.16Å; I260-L262 HydrophobicContact CG2-CG 4.11Å; I260-I296 HydrophobicContact CD1-CD1 4.16Å; I260-I296 HydrophobicContact CG2-CD1 3.79Å; I260-L341 HydrophobicContact CG2-CD1 4.16Å; I260-G342 VanDerWaalsContact O-CA 3.31Å; I260-G342 WeakPolarHBondContact O-CA 3.3Å; I260-G342 PolarHBondContact O-N 3.4Å |
| 261 | S | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 112 | 177.2 | 176.4 | 0 | 0 | 0 | 0 | 108.7 | F201 N202 N203 T413 | F201-S261 PolarHBondContact O-N 3.18Å; N202-S261 WeakPolarHBondContact OD1-CB 3.29Å; N202-S261 PolarHBondContact OD1-OG 2.96Å; N203-S261 PolarHBondContact N-O 2.71Å; S261-T413 WeakPolarHBondContact OG-CB 3.45Å; S261-T413 PolarHBondContact OG-OG1 3.31Å |
| 262 | L | 98.8 | Very high | 97.1 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 122.4 | 179.7 | -54.9 | -175.8 | 0 | 0 | 0 | 109.4 | P204 I260 L289 F292 A293 L341 G342 I343 G344 | P204-L262 HydrophobicContact CG-CD2 3.64Å; I260-L262 HydrophobicContact CD1-CD2 3.83Å; I260-L262 HydrophobicContact CG1-CD2 3.84Å; I260-L262 HydrophobicContact CG2-CD1 4.48Å; I260-L262 HydrophobicContact CG2-CD2 4.16Å; I260-L262 HydrophobicContact CG2-CG 4.11Å; L262-L289 HydrophobicContact CB-CD1 3.65Å; L262-L289 HydrophobicContact CD1-CD1 4.12Å; L262-F292 HydrophobicContact CD1-CB 3.95Å; L262-F292 HydrophobicContact CD2-CB 3.64Å; L262-F292 HydrophobicContact CD2-CG 4.31Å; L262-F292 HydrophobicContact CG-CB 4.46Å; L262-A293 HydrophobicContact CD1-CB 3.75Å; L262-L341 HydrophobicContact CD1-CD1 3.85Å; L262-L341 HydrophobicContact CG-CD1 4.04Å; L262-G342 PolarHBondContact N-O 2.96Å; L262-I343 WeakPolarHBondContact O-CA 3.36Å; L262-G344 PolarHBondContact O-N 3.46Å |
| 263 | S | 94.8 | Very high | 96.9 | Very high | 8 Ų | 8 | 37.3 Ų | 37.3 | 6% | 0.056 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 140.3 | 165.6 | -62.6 | 0 | 0 | 0 | 0 | 109.5 | N203 G344 | N203-S263 WeakPolarHBondContact CB-OG 3.42Å; N203-S263 PolarHBondContact ND2-OG 3.06Å; S263-G344 CarbonylContact C-O 3.5Å; S263-G344 VanDerWaalsContact CA-O 3.28Å; S263-G344 WeakPolarHBondContact CA-O 3.49Å |
| 264 | G | 92.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | trans | -148.5 | 120.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | G344 H345 L397 | G264-G344 PolarHBondContact N-O 3.18Å; G264-H345 PolarHBondContact O-ND1 2.63Å; G264-L397 WeakPolarHBondContact O-CD2 3.37Å | ||
| 265 | D | 94.9 | Very high | 96.7 | Very high | 17 Ų | 17 | 36 Ų | 36 | 9% | 0.091 | 19% | 0.192 | C | C | . | . | trans | -78.6 | 151.8 | 165.5 | -72.8 | -13.2 | 0 | 0 | 0 | 109.8 | Y284 Y288 T347 | D265-Y284 HydrophobicContact CB-CE1 3.94Å; D265-Y284 WeakPolarHBondContact CB-OH 3.39Å; D265-Y284 PolarHBondContact OD2-OH 3.49Å; D265-Y288 HydrophobicContact CB-CD1 3.97Å; D265-Y288 HydrophobicContact CB-CE1 3.76Å; D265-Y288 VanDerWaalsContact N-CD1 3.27Å; D265-T347 WeakPolarHBondContact OD1-CG2 3.43Å; D265-T347 WeakPolarHBondContact OD2-CG2 3.41Å | ||
| 266 | W | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 130.6 | 170.8 | -176.5 | -110.6 | 0 | 0 | 0 | 109.9 | F25 W27 E268 V285 T347 T348 R349 W392 G393 R396 L397 F400 | F25-W266 HydrophobicContact CD1-CH2 4.37Å; F25-W266 AromaticContact CE1-CH2 3.51Å; F25-W266 HydrophobicContact CE1-CH2 3.51Å; F25-W266 AromaticContact CE1-CZ2 3.99Å; F25-W266 HydrophobicContact CE1-CZ2 3.99Å; F25-W266 AromaticContact CZ-CH2 3.77Å; F25-W266 HydrophobicContact CZ-CH2 3.77Å; F25-W266 HydrophobicContact CZ-CZ2 4.23Å; W27-W266 AromaticContact CE3-CH2 3.94Å; W27-W266 HydrophobicContact CE3-CH2 3.94Å; W27-W266 AromaticContact CE3-CZ2 3.79Å; W27-W266 HydrophobicContact CE3-CZ2 3.79Å; W27-W266 AromaticContact CH2-CH2 3.46Å; W27-W266 HydrophobicContact CH2-CH2 3.46Å; W27-W266 VanDerWaalsContact CH2-CH2 3.46Å; W27-W266 AromaticContact CH2-CZ2 3.99Å; W27-W266 HydrophobicContact CH2-CZ2 3.99Å; W27-W266 HydrophobicContact CH2-CZ3 4.02Å; W27-W266 HydrophobicContact CZ2-CH2 4.28Å; W27-W266 AromaticContact CZ3-CH2 3.26Å; W27-W266 HydrophobicContact CZ3-CH2 3.26Å; W27-W266 AromaticContact CZ3-CZ2 3.28Å; W27-W266 HydrophobicContact CZ3-CZ2 3.28Å; W27-W266 HydrophobicContact CZ3-CZ3 4.15Å; W266-E268 PolarHBondContact NE1-OE2 2.79Å; W266-V285 HydrophobicContact CE3-CG2 4.13Å; W266-V285 HydrophobicContact CZ3-CG2 4.18Å; W266-T347 PolarHBondContact N-O 2.99Å; W266-T348 HydrophobicContact CB-CG2 4.13Å; W266-T348 HydrophobicContact CG-CG2 4.33Å; W266-T348 CarbonylContact O-C 3.58Å; W266-T348 VanDerWaalsContact O-CA 3.27Å; W266-T348 WeakPolarHBondContact O-CA 3.2Å; W266-T348 WeakPolarHBondContact O-CG2 3.34Å; W266-R349 PolarHBondContact O-N 3.07Å; W266-W392 AromaticContact CD1-CZ3 3.98Å; W266-G393 WeakPolarHBondContact CB-O 3.33Å; W266-R396 HydrophobicContact CD2-CB 3.66Å; W266-R396 VanDerWaalsContact CE2-CB 3.41Å; W266-R396 HydrophobicContact CE3-CB 4.18Å; W266-R396 HydrophobicContact CG-CB 4.09Å; W266-R396 HydrophobicContact CH2-CB 4.24Å; W266-R396 HydrophobicContact CZ2-CB 3.73Å; W266-R396 HydrophobicContact CZ2-CG 4.44Å; W266-R396 HydrophobicContact CZ3-CB 4.44Å; W266-L397 HydrophobicContact CE3-CB 4.01Å; W266-L397 HydrophobicContact CE3-CD1 4.04Å; W266-F400 HydrophobicContact CH2-CB 4.13Å; W266-F400 HydrophobicContact CH2-CD2 4.35Å; W266-F400 HydrophobicContact CH2-CG 4.45Å; W266-F400 HydrophobicContact CZ3-CB 3.65Å; W266-F400 HydrophobicContact CZ3-CD2 4.2Å; W266-F400 AromaticContact CZ3-CG 3.93Å; W266-F400 HydrophobicContact CZ3-CG 3.93Å |
| 267 | G | 97.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 115.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | W27 R349 | W27-G267 WeakPolarHBondContact CZ3-O 3.39Å; G267-R349 CarbonylContact C-O 3.58Å; G267-R349 WeakPolarHBondContact CA-O 3.48Å |
| 268 | E | 96.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.019 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 129.3 | 173.8 | -171.7 | 66.5 | -162.1 | 0 | 0 | 109.3 | W266 V270 T348 R349 Y350 I351 W392 R396 | W266-E268 PolarHBondContact NE1-OE2 2.79Å; E268-V270 PolarHBondContact O-N 2.82Å; E268-T348 HydrophobicContact CB-CG2 4.38Å; E268-R349 PolarHBondContact N-O 2.61Å; E268-Y350 HydrophobicContact CB-CD1 3.88Å; E268-Y350 HydrophobicContact CB-CE1 4.03Å; E268-Y350 HydrophobicContact CG-CD1 4Å; E268-Y350 HydrophobicContact CG-CE1 3.72Å; E268-Y350 CarbonylContact O-C 3.57Å; E268-Y350 VanDerWaalsContact O-CA 3.23Å; E268-Y350 WeakPolarHBondContact O-CA 3.45Å; E268-I351 PolarHBondContact O-N 2.68Å; E268-W392 HydrophobicContact CB-CH2 3.9Å; E268-W392 HydrophobicContact CB-CZ3 4.18Å; E268-W392 HydrophobicContact CG-CH2 3.83Å; E268-W392 HydrophobicContact CG-CZ3 4.04Å; E268-R396 IonicContact OE1-CZ 3.52Å; E268-R396 IonicContact OE1-NH2 2.9Å; E268-R396 PolarHBondContact OE1-NH2 3.19Å; E268-R396 IonicContact OE2-CZ 3.01Å; E268-R396 IonicContact OE2-NE 2.99Å; E268-R396 PolarHBondContact OE2-NE 3.38Å; E268-R396 VanDerWaalsContact OE2-NE 3.14Å; E268-R396 IonicContact OE2-NH2 3.38Å; E268-R396 PolarHBondContact OE2-NH2 3.32Å |
| 269 | P | 96.7 | Very high | 96.5 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 137.1 | 175.8 | 27.4 | -35.7 | 0 | 0 | 0 | 110.8 | D271 I272 D277 I278 A281 I351 | P269-D271 VanDerWaalsContact C-N 3.3Å; P269-D271 PolarHBondContact O-N 3.34Å; P269-I272 HydrophobicContact CG-CG2 3.8Å; P269-D277 HydrophobicContact CB-CB 4.1Å; P269-I278 HydrophobicContact CB-CG1 4.35Å; P269-I278 HydrophobicContact CG-CG1 4.42Å; P269-A281 HydrophobicContact CB-CB 4.09Å; P269-A281 HydrophobicContact CG-CB 4.43Å; P269-I351 WeakPolarHBondContact CA-O 3.49Å |
| 270 | V | 95.8 | Very high | 96.4 | Very high | 72 Ų | 72 | 36.8 Ų | 36.8 | 44% | 0.436 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -59.6 | -43.4 | 175.4 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | E268 I351 T352 L374 | E268-V270 PolarHBondContact O-N 2.82Å; V270-I351 PolarHBondContact N-O 2.7Å; V270-T352 HydrophobicContact CG2-CG2 4.46Å; V270-L374 HydrophobicContact CG2-CD1 3.86Å |
| 271 | D | 94.3 | Very high | 96.4 | Very high | 65 Ų | 65 | 36.7 Ų | 36.7 | 35% | 0.348 | 19% | 0.194 | S | C | . | . | trans | -127.5 | 107.8 | 178.2 | -179.9 | 1.5 | 0 | 0 | 0 | 110.3 | P269 S273 N274 | P269-D271 VanDerWaalsContact C-N 3.3Å; P269-D271 PolarHBondContact O-N 3.34Å; D271-S273 VanDerWaalsContact CG-OG 3.3Å; D271-S273 PolarHBondContact O-N 3.33Å; D271-S273 WeakPolarHBondContact OD1-CA 3.5Å; D271-S273 WeakPolarHBondContact OD1-CB 3.5Å; D271-S273 PolarHBondContact OD1-N 3.12Å; D271-S273 PolarHBondContact OD1-OG 2.88Å; D271-S273 PolarHBondContact OD2-OG 3.31Å; D271-N274 HydrophobicContact CB-CB 3.86Å; D271-N274 PolarHBondContact O-N 2.69Å | ||
| 272 | I | 94 | Very high | 96.3 | Very high | 85 Ų | 85 | 39.9 Ų | 39.9 | 44% | 0.436 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -10.3 | 177.5 | 59.1 | 165.3 | 0 | 0 | 0 | 113.7 | P269 | P269-I272 HydrophobicContact CG-CG2 3.8Š|
| 273 | S | 95 | Very high | 96.3 | Very high | 103 Ų | 103 | 40 Ų | 40 | 72% | 0.72 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -13.5 | 172.1 | 75.8 | 0 | 0 | 0 | 0 | 112.6 | D271 | D271-S273 VanDerWaalsContact CG-OG 3.3Å; D271-S273 PolarHBondContact O-N 3.33Å; D271-S273 WeakPolarHBondContact OD1-CA 3.5Å; D271-S273 WeakPolarHBondContact OD1-CB 3.5Å; D271-S273 PolarHBondContact OD1-N 3.12Å; D271-S273 PolarHBondContact OD1-OG 2.88Å; D271-S273 PolarHBondContact OD2-OG 3.31Å |
| 274 | N | 96.3 | Very high | 96.4 | Very high | 53 Ų | 53 | 39.9 Ų | 39.9 | 28% | 0.283 | 21% | 0.207 | S | C | . | . | trans | -95.1 | 107.1 | 176.8 | 179.1 | 8.3 | 0 | 0 | 0 | 110.9 | D271 K276 D277 I278 | D271-N274 HydrophobicContact CB-CB 3.86Å; D271-N274 PolarHBondContact O-N 2.69Å; N274-K276 PolarHBondContact O-N 2.93Å; N274-K276 VanDerWaalsContact O-N 3.09Å; N274-K276 PolarHBondContact OD1-N 2.99Å; N274-K276 VanDerWaalsContact OD1-N 3.12Å; N274-D277 HydrophobicContact CB-CB 4.31Å; N274-D277 PolarHBondContact ND2-OD1 2.89Å; N274-D277 PolarHBondContact ND2-OD2 2.96Å; N274-D277 PolarHBondContact O-N 3.32Å; N274-I278 PolarHBondContact O-N 2.95Å | ||
| 275 | Q | 96.7 | Very high | 96.7 | Very high | 111 Ų | 111 | 39.9 Ų | 39.9 | 52% | 0.519 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -55 | -33.1 | -179.6 | -171.9 | 58.5 | 42.3 | 0 | 0 | 113.6 | D277 I278 E279 | Q275-D277 VanDerWaalsContact C-N 3.32Å; Q275-D277 PolarHBondContact O-N 2.93Å; Q275-I278 PolarHBondContact O-N 2.79Å; Q275-E279 WeakPolarHBondContact O-CG 3.31Å; Q275-E279 PolarHBondContact O-N 2.9Å |
| 276 | K | 96.9 | Very high | 96.9 | Very high | 123 Ų | 123 | 39.6 Ų | 39.6 | 54% | 0.535 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68.2 | -32.8 | 179.2 | -67 | -176.5 | 177.7 | 178.8 | 0 | 112.7 | N274 A280 H353 | N274-K276 PolarHBondContact O-N 2.93Å; N274-K276 VanDerWaalsContact O-N 3.09Å; N274-K276 PolarHBondContact OD1-N 2.99Å; N274-K276 VanDerWaalsContact OD1-N 3.12Å; K276-A280 VanDerWaalsContact O-CB 3.27Å; K276-A280 WeakPolarHBondContact O-CB 3.4Å; K276-A280 PolarHBondContact O-N 2.95Å; K276-H353 HydrophobicContact CB-CB 3.97Å |
| 277 | D | 97.5 | Very high | 96.9 | Very high | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.032 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -74.9 | -36.6 | 177.5 | -69.6 | -17.5 | 0 | 0 | 0 | 110.7 | P269 N274 Q275 A280 A281 T352 H353 | P269-D277 HydrophobicContact CB-CB 4.1Å; N274-D277 HydrophobicContact CB-CB 4.31Å; N274-D277 PolarHBondContact ND2-OD1 2.89Å; N274-D277 PolarHBondContact ND2-OD2 2.96Å; N274-D277 PolarHBondContact O-N 3.32Å; Q275-D277 VanDerWaalsContact C-N 3.32Å; Q275-D277 PolarHBondContact O-N 2.93Å; D277-A280 PolarHBondContact O-N 2.99Å; D277-A281 WeakPolarHBondContact O-CB 3.38Å; D277-A281 PolarHBondContact O-N 3.36Å; D277-T352 WeakPolarHBondContact OD1-CA 2.86Å; D277-T352 WeakPolarHBondContact OD1-CB 3.39Å; D277-T352 PolarHBondContact OD1-OG1 2.58Å; D277-H353 PolarHBondContact OD1-N 2.86Å |
| 278 | I | 97.4 | Very high | 96.9 | Very high | 17 Ų | 17 | 40.7 Ų | 40.7 | 9% | 0.087 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.5 | -51.2 | 170.8 | -61.5 | 174.7 | 0 | 0 | 0 | 110.6 | W27 P269 N274 Q275 A280 A281 E282 | W27-I278 HydrophobicContact CB-CG2 3.82Å; W27-I278 HydrophobicContact CD2-CG2 4.44Å; W27-I278 HydrophobicContact CG-CG2 3.79Å; P269-I278 HydrophobicContact CB-CG1 4.35Å; P269-I278 HydrophobicContact CG-CG1 4.42Å; N274-I278 PolarHBondContact O-N 2.95Å; Q275-I278 PolarHBondContact O-N 2.79Å; I278-A280 VanDerWaalsContact C-N 3.26Å; I278-A280 PolarHBondContact O-N 2.84Å; I278-A281 PolarHBondContact O-N 3.2Å; I278-E282 PolarHBondContact O-N 3.1Å |
| 279 | E | 97.3 | Very high | 97 | Very high | 98 Ų | 98 | 40.6 Ų | 40.6 | 46% | 0.458 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.1 | -33.7 | 177.7 | -72 | 170.2 | -170.7 | 0 | 0 | 112.3 | Q275 R283 | Q275-E279 WeakPolarHBondContact O-CG 3.31Å; Q275-E279 PolarHBondContact O-N 2.9Å; E279-R283 VanDerWaalsContact O-CB 3.22Å; E279-R283 WeakPolarHBondContact O-CB 3.24Å; E279-R283 PolarHBondContact O-N 3.14Å; E279-R283 PolarHBondContact O-NH1 2.79Å; E279-R283 VanDerWaalsContact O-NH1 3.08Å |
| 280 | A | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.9 | -41 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | K276 D277 I278 R283 Y284 I351 H353 L371 | K276-A280 VanDerWaalsContact O-CB 3.27Å; K276-A280 WeakPolarHBondContact O-CB 3.4Å; K276-A280 PolarHBondContact O-N 2.95Å; D277-A280 PolarHBondContact O-N 2.99Å; I278-A280 VanDerWaalsContact C-N 3.26Å; I278-A280 PolarHBondContact O-N 2.84Å; A280-R283 PolarHBondContact O-N 3.28Å; A280-Y284 PolarHBondContact O-N 3.12Å; A280-I351 HydrophobicContact CB-CG2 3.83Å; A280-H353 HydrophobicContact CB-CB 4.1Å; A280-L371 HydrophobicContact CB-CB 4.37Å |
| 281 | A | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.9 | -44.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | W27 P269 D277 I278 R283 Y284 V285 I351 | W27-A281 HydrophobicContact CE3-CB 4.28Å; W27-A281 HydrophobicContact CH2-CB 4.43Å; W27-A281 HydrophobicContact CZ3-CB 3.9Å; P269-A281 HydrophobicContact CB-CB 4.09Å; P269-A281 HydrophobicContact CG-CB 4.43Å; D277-A281 WeakPolarHBondContact O-CB 3.38Å; D277-A281 PolarHBondContact O-N 3.36Å; I278-A281 PolarHBondContact O-N 3.2Å; A281-R283 PolarHBondContact O-N 2.91Å; A281-Y284 WeakPolarHBondContact O-CB 3.44Å; A281-Y284 PolarHBondContact O-N 2.99Å; A281-V285 PolarHBondContact O-N 3.26Å; A281-I351 HydrophobicContact CB-CB 4.23Å |
| 282 | E | 97.4 | Very high | 97.5 | Very high | 68 Ų | 68 | 34.1 Ų | 34.1 | 32% | 0.318 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.6 | -46.1 | 173.1 | -177.2 | 174.8 | 171.5 | 0 | 0 | 111.3 | W27 I278 Y284 V285 Q286 | W27-E282 HydrophobicContact CH2-CB 4.25Å; W27-E282 VanDerWaalsContact CZ2-CA 3.47Å; W27-E282 HydrophobicContact CZ2-CB 3.53Å; W27-E282 HydrophobicContact CZ2-CG 3.92Å; I278-E282 PolarHBondContact O-N 3.1Å; E282-Y284 VanDerWaalsContact C-N 3.27Å; E282-Y284 PolarHBondContact O-N 3.19Å; E282-V285 PolarHBondContact O-N 3.23Å; E282-Q286 HydrophobicContact CG-CG 4.01Å; E282-Q286 WeakPolarHBondContact O-CB 3.42Å; E282-Q286 VanDerWaalsContact O-CG 3.24Å; E282-Q286 WeakPolarHBondContact O-CG 3.31Å; E282-Q286 PolarHBondContact O-N 3.44Å |
| 283 | R | 97.8 | Very high | 97.7 | Very high | 7 Ų | 7 | 30 Ų | 30 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.5 | -37.7 | 177.8 | -175.1 | 165.2 | 61.7 | -96.6 | 0.7 | 112.2 | E279 A280 A281 Q286 F287 V304 H353 R369 D370 | E279-R283 VanDerWaalsContact O-CB 3.22Å; E279-R283 WeakPolarHBondContact O-CB 3.24Å; E279-R283 PolarHBondContact O-N 3.14Å; E279-R283 PolarHBondContact O-NH1 2.79Å; E279-R283 VanDerWaalsContact O-NH1 3.08Å; A280-R283 PolarHBondContact O-N 3.28Å; A281-R283 PolarHBondContact O-N 2.91Å; R283-Q286 PolarHBondContact O-N 3.34Å; R283-F287 HydrophobicContact CG-CD2 3.66Å; R283-F287 HydrophobicContact CG-CE2 3.64Å; R283-F287 WeakPolarHBondContact O-CB 3.38Å; R283-F287 VanDerWaalsContact O-CD2 3.3Å; R283-F287 WeakPolarHBondContact O-CD2 3.26Å; R283-F287 PolarHBondContact O-N 2.93Å; R283-V304 HydrophobicContact CB-CG2 4Å; R283-V304 HydrophobicContact CG-CG2 3.74Å; R283-H353 PolarHBondContact NH2-ND1 3.28Å; R283-R369 PolarHBondContact NE-O 2.88Å; R283-R369 PolarHBondContact NH2-O 2.95Å; R283-D370 PolarHBondContact NH2-O 3.41Å |
| 284 | Y | 98.2 | Very high | 97.9 | Very high | 5 Ų | 5 | 25.8 Ų | 25.8 | 2% | 0.02 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.1 | -53.7 | 173.7 | 176.6 | -101.4 | 0 | 0 | 0 | 111.6 | D265 A280 A281 E282 Q286 F287 Y288 I351 L371 E373 | D265-Y284 HydrophobicContact CB-CE1 3.94Å; D265-Y284 WeakPolarHBondContact CB-OH 3.39Å; D265-Y284 PolarHBondContact OD2-OH 3.49Å; A280-Y284 PolarHBondContact O-N 3.12Å; A281-Y284 WeakPolarHBondContact O-CB 3.44Å; A281-Y284 PolarHBondContact O-N 2.99Å; E282-Y284 VanDerWaalsContact C-N 3.27Å; E282-Y284 PolarHBondContact O-N 3.19Å; Y284-Q286 VanDerWaalsContact C-N 3.3Å; Y284-Q286 PolarHBondContact O-N 3.23Å; Y284-F287 PolarHBondContact O-N 3.09Å; Y284-Y288 PolarHBondContact O-N 2.64Å; Y284-Y288 VanDerWaalsContact O-N 3.13Å; Y284-I351 HydrophobicContact CD1-CD1 4.03Å; Y284-I351 HydrophobicContact CD1-CG1 4.21Å; Y284-I351 HydrophobicContact CD2-CD1 3.68Å; Y284-I351 HydrophobicContact CE1-CD1 4.33Å; Y284-I351 HydrophobicContact CE2-CD1 4.04Å; Y284-I351 HydrophobicContact CG-CD1 3.66Å; Y284-I351 HydrophobicContact CG-CG1 4.01Å; Y284-L371 HydrophobicContact CD2-CD1 4.24Å; Y284-L371 HydrophobicContact CD2-CD2 4.24Å; Y284-E373 HydrophobicContact CD2-CG 4.32Å; Y284-E373 HydrophobicContact CE2-CG 3.99Å; Y284-E373 VanDerWaalsContact CE2-OE2 3.3Å; Y284-E373 WeakPolarHBondContact CE2-OE2 3.05Å; Y284-E373 PolarHBondContact OH-OE2 3.22Å |
| 285 | V | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.4 | -37.7 | 179.8 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | W27 W266 A281 E282 Y288 L289 G290 L397 F400 | W27-V285 HydrophobicContact CH2-CG2 4.15Å; W266-V285 HydrophobicContact CE3-CG2 4.13Å; W266-V285 HydrophobicContact CZ3-CG2 4.18Å; A281-V285 PolarHBondContact O-N 3.26Å; E282-V285 PolarHBondContact O-N 3.23Å; V285-Y288 PolarHBondContact O-N 3.27Å; V285-L289 HydrophobicContact CG1-CB 4.4Å; V285-L289 PolarHBondContact O-N 2.94Å; V285-G290 PolarHBondContact O-N 2.89Å; V285-L397 HydrophobicContact CG1-CD1 4.36Å; V285-F400 HydrophobicContact CB-CZ 4.49Å; V285-F400 HydrophobicContact CG1-CD1 3.9Å; V285-F400 HydrophobicContact CG1-CE1 3.44Å; V285-F400 VanDerWaalsContact CG1-CE1 3.44Å; V285-F400 HydrophobicContact CG1-CZ 3.81Å |
| 286 | Q | 98.3 | Very high | 98.1 | Very high | 12 Ų | 12 | 18 Ų | 18 | 6% | 0.056 | 8% | 0.083 | C | C | . | . | I | π-helix | trans | -69.7 | -37.9 | 178.4 | -69.3 | -69.7 | -0 | 0 | 0 | 113.1 | E282 R283 Y284 Y288 G290 W291 P302 V304 | E282-Q286 HydrophobicContact CG-CG 4.01Å; E282-Q286 WeakPolarHBondContact O-CB 3.42Å; E282-Q286 VanDerWaalsContact O-CG 3.24Å; E282-Q286 WeakPolarHBondContact O-CG 3.31Å; E282-Q286 PolarHBondContact O-N 3.44Å; R283-Q286 PolarHBondContact O-N 3.34Å; Y284-Q286 VanDerWaalsContact C-N 3.3Å; Y284-Q286 PolarHBondContact O-N 3.23Å; Q286-Y288 VanDerWaalsContact C-N 3.26Å; Q286-Y288 PolarHBondContact O-N 2.8Å; Q286-G290 CarbonylContact O-C 3.43Å; Q286-G290 VanDerWaalsContact O-C 3.23Å; Q286-G290 VanDerWaalsContact O-CA 3.31Å; Q286-G290 WeakPolarHBondContact O-CA 3.48Å; Q286-G290 PolarHBondContact O-N 3.31Å; Q286-W291 PolarHBondContact O-N 3.12Å; Q286-P302 HydrophobicContact CB-CB 4.16Å; Q286-P302 HydrophobicContact CB-CG 4.39Å; Q286-V304 HydrophobicContact CB-CG1 3.64Å; Q286-V304 HydrophobicContact CG-CG1 3.97Å |
| 287 | F | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.065 | C | C | . | . | I | π-helix | trans | -73 | -19.8 | 175 | -91.4 | -109.1 | 0 | 0 | 0 | 112.9 | R283 Y284 W291 M305 F308 V309 Y365 D368 R369 | R283-F287 HydrophobicContact CG-CD2 3.66Å; R283-F287 HydrophobicContact CG-CE2 3.64Å; R283-F287 WeakPolarHBondContact O-CB 3.38Å; R283-F287 VanDerWaalsContact O-CD2 3.3Å; R283-F287 WeakPolarHBondContact O-CD2 3.26Å; R283-F287 PolarHBondContact O-N 2.93Å; Y284-F287 PolarHBondContact O-N 3.09Å; F287-W291 WeakPolarHBondContact O-CB 3.25Å; F287-M305 HydrophobicContact CD1-CE 3.99Å; F287-M305 HydrophobicContact CD1-CG 4.05Å; F287-M305 HydrophobicContact CD1-SD 4.47Å; F287-M305 HydrophobicContact CD2-CB 4.22Å; F287-M305 HydrophobicContact CD2-CG 4.19Å; F287-M305 HydrophobicContact CE1-CE 4.16Å; F287-M305 HydrophobicContact CE1-CG 3.77Å; F287-M305 HydrophobicContact CE2-CB 3.9Å; F287-M305 HydrophobicContact CE2-CG 3.92Å; F287-M305 HydrophobicContact CG-CG 4.29Å; F287-M305 HydrophobicContact CZ-CB 4.13Å; F287-M305 HydrophobicContact CZ-CG 3.71Å; F287-F308 HydrophobicContact CE2-CB 4.37Å; F287-F308 HydrophobicContact CZ-CB 3.97Å; F287-V309 HydrophobicContact CE1-CG2 3.98Å; F287-V309 HydrophobicContact CZ-CG2 4.13Å; F287-Y365 HydrophobicContact CB-CE2 4.31Å; F287-Y365 HydrophobicContact CD1-CD2 4.39Å; F287-Y365 AromaticContact CD1-CE2 3.9Å; F287-Y365 HydrophobicContact CD1-CE2 3.9Å; F287-Y365 PolarHBondContact O-OH 3.3Å; F287-D368 HydrophobicContact CE1-CB 4.14Å; F287-R369 HydrophobicContact CB-CG 3.96Å; F287-R369 HydrophobicContact CD1-CG 3.39Å; F287-R369 HydrophobicContact CD2-CG 4.26Å; F287-R369 HydrophobicContact CE1-CG 3.79Å; F287-R369 HydrophobicContact CG-CG 3.63Å; F287-R369 HydrophobicContact CZ-CG 4.37Å |
| 288 | Y | 97.6 | Very high | 98.2 | Very high | 23 Ų | 23 | 18.3 Ų | 18.3 | 9% | 0.09 | 9% | 0.085 | C | C | . | . | I | π-helix | trans | -97.4 | -79.2 | 178.3 | -165.4 | -165.9 | 0 | 0 | 0 | 112.3 | W205 D265 Y284 V285 Q286 | W205-Y288 HydrophobicContact CB-CD2 3.9Å; W205-Y288 HydrophobicContact CB-CE2 3.63Å; W205-Y288 AromaticContact CD1-CD2 3.34Å; W205-Y288 AromaticContact CD1-CE2 3.73Å; W205-Y288 AromaticContact CD2-CD2 3.66Å; W205-Y288 HydrophobicContact CD2-CD2 3.66Å; W205-Y288 AromaticContact CD2-CE2 3.21Å; W205-Y288 HydrophobicContact CD2-CE2 3.21Å; W205-Y288 AromaticContact CE2-CD2 3.8Å; W205-Y288 AromaticContact CE2-CE2 3.71Å; W205-Y288 HydrophobicContact CE3-CD2 4.44Å; W205-Y288 AromaticContact CE3-CE2 3.56Å; W205-Y288 HydrophobicContact CE3-CE2 3.56Å; W205-Y288 AromaticContact CG-CD2 3.36Å; W205-Y288 HydrophobicContact CG-CD2 3.36Å; W205-Y288 AromaticContact CG-CE2 3.24Å; W205-Y288 HydrophobicContact CG-CE2 3.24Å; W205-Y288 HydrophobicContact CZ2-CE2 4.46Å; W205-Y288 HydrophobicContact CZ3-CE2 4.34Å; W205-Y288 AromaticContact NE1-CD2 3.57Å; W205-Y288 AromaticContact NE1-CE2 3.95Å; D265-Y288 HydrophobicContact CB-CD1 3.97Å; D265-Y288 HydrophobicContact CB-CE1 3.76Å; D265-Y288 VanDerWaalsContact N-CD1 3.27Å; Y284-Y288 PolarHBondContact O-N 2.64Å; Y284-Y288 VanDerWaalsContact O-N 3.13Å; V285-Y288 PolarHBondContact O-N 3.27Å; Q286-Y288 VanDerWaalsContact C-N 3.26Å; Q286-Y288 PolarHBondContact O-N 2.8Å |
| 289 | L | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | I | π-helix | trans | -70.6 | -48.2 | 179.4 | -179.2 | 75.9 | 0 | 0 | 0 | 111.5 | L262 V285 W291 F292 A293 I343 L397 V401 | L262-L289 HydrophobicContact CB-CD1 3.65Å; L262-L289 HydrophobicContact CD1-CD1 4.12Å; V285-L289 HydrophobicContact CG1-CB 4.4Å; V285-L289 PolarHBondContact O-N 2.94Å; L289-W291 PolarHBondContact O-N 2.72Å; L289-F292 PolarHBondContact O-N 3.05Å; L289-A293 HydrophobicContact CG-CB 4.48Å; L289-A293 WeakPolarHBondContact O-CB 3.44Å; L289-A293 PolarHBondContact O-N 2.96Å; L289-I343 HydrophobicContact CD1-CD1 3.93Å; L289-L397 HydrophobicContact CD2-CD1 4Å; L289-V401 HydrophobicContact CD2-CG2 3.61Å |
| 290 | G | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.066 | C | C | . | . | I | π-helix | trans | -63.5 | -27 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114 | V285 Q286 F292 A293 T294 P302 | V285-G290 PolarHBondContact O-N 2.89Å; Q286-G290 CarbonylContact O-C 3.43Å; Q286-G290 VanDerWaalsContact O-C 3.23Å; Q286-G290 VanDerWaalsContact O-CA 3.31Å; Q286-G290 WeakPolarHBondContact O-CA 3.48Å; Q286-G290 PolarHBondContact O-N 3.31Å; G290-F292 PolarHBondContact O-N 3.41Å; G290-A293 PolarHBondContact O-N 3.34Å; G290-T294 WeakPolarHBondContact O-CB 3.46Å; G290-T294 PolarHBondContact O-N 3.43Å; G290-T294 PolarHBondContact O-OG1 2.88Å; G290-P302 VanDerWaalsContact O-CG 3.31Å; G290-P302 WeakPolarHBondContact O-CG 3.32Å |
| 291 | W | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -59.9 | -34.7 | -179 | -177.4 | 16 | 0 | 0 | 0 | 112 | W205 A208 V209 A228 Y229 A232 Q286 F287 L289 P295 Y301 M305 Y365 | W205-W291 AromaticContact CD1-CE3 3.89Å; W205-W291 AromaticContact CD1-CZ3 3.9Å; A208-W291 HydrophobicContact CB-CH2 4.27Å; V209-W291 HydrophobicContact CG2-CH2 4.32Å; V209-W291 HydrophobicContact CG2-CZ3 3.83Å; A228-W291 HydrophobicContact CB-CH2 3.72Å; Y229-W291 AromaticContact CD1-CH2 4Å; Y229-W291 HydrophobicContact CD1-CH2 4Å; Y229-W291 AromaticContact CD1-CZ2 3.52Å; Y229-W291 HydrophobicContact CD1-CZ2 3.52Å; Y229-W291 HydrophobicContact CE1-CH2 4.26Å; Y229-W291 HydrophobicContact CE1-CZ2 4.09Å; A232-W291 HydrophobicContact CB-CD2 4.47Å; A232-W291 HydrophobicContact CB-CH2 3.97Å; A232-W291 HydrophobicContact CB-CZ2 3.23Å; Q286-W291 PolarHBondContact O-N 3.12Å; F287-W291 WeakPolarHBondContact O-CB 3.25Å; L289-W291 PolarHBondContact O-N 2.72Å; W291-P295 VanDerWaalsContact O-CD 3.31Å; W291-P295 WeakPolarHBondContact O-CD 3.46Å; W291-P295 WeakPolarHBondContact O-CG 3.38Å; W291-Y301 AromaticContact CD1-CD1 3.72Å; W291-Y301 AromaticContact CD1-CE1 3.67Å; W291-Y301 AromaticContact NE1-CE1 3.69Å; W291-M305 HydrophobicContact CB-SD 3.99Å; W291-M305 HydrophobicContact CD2-CE 3.6Å; W291-M305 HydrophobicContact CD2-SD 4.17Å; W291-M305 HydrophobicContact CE3-CE 4.22Å; W291-M305 HydrophobicContact CG-CE 3.7Å; W291-M305 HydrophobicContact CG-SD 3.6Å; W291-M305 VanDerWaalsContact CG-SD 3.6Å; W291-M305 HydrophobicContact CZ2-CE 4.13Å; W291-Y365 AromaticContact CE3-CE2 3.87Å; W291-Y365 HydrophobicContact CE3-CE2 3.87Å; W291-Y365 HydrophobicContact CH2-CD2 4.28Å; W291-Y365 HydrophobicContact CH2-CE2 4.41Å; W291-Y365 AromaticContact CZ3-CD2 3.86Å; W291-Y365 HydrophobicContact CZ3-CD2 3.86Å; W291-Y365 AromaticContact CZ3-CE2 3.57Å; W291-Y365 HydrophobicContact CZ3-CE2 3.57Å |
| 292 | F | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 14.5 Ų | 14.5 | 2% | 0.018 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -100.9 | -37.4 | 176.4 | -63.2 | -86.8 | 0 | 0 | 0 | 112.5 | P204 W205 A208 A232 I235 I236 L262 L289 G290 I296 | P204-F292 HydrophobicContact CB-CD1 3.85Å; P204-F292 HydrophobicContact CB-CE1 3.53Å; P204-F292 HydrophobicContact CB-CG 4.46Å; P204-F292 HydrophobicContact CB-CZ 3.9Å; P204-F292 HydrophobicContact CG-CB 4.33Å; P204-F292 HydrophobicContact CG-CD1 3.48Å; P204-F292 VanDerWaalsContact CG-CD1 3.48Å; P204-F292 HydrophobicContact CG-CD2 4.04Å; P204-F292 HydrophobicContact CG-CE1 3.67Å; P204-F292 HydrophobicContact CG-CE2 4.21Å; P204-F292 HydrophobicContact CG-CG 3.68Å; P204-F292 HydrophobicContact CG-CZ 4.03Å; W205-F292 HydrophobicContact CB-CE2 3.84Å; A208-F292 HydrophobicContact CB-CZ 4.4Å; A232-F292 HydrophobicContact CB-CE1 3.67Å; A232-F292 HydrophobicContact CB-CZ 3.65Å; I235-F292 HydrophobicContact CG2-CE1 4.47Å; I236-F292 HydrophobicContact CD1-CD1 4.08Å; I236-F292 HydrophobicContact CD1-CE1 4.49Å; I236-F292 HydrophobicContact CG1-CD1 3.83Å; I236-F292 HydrophobicContact CG1-CE1 4.37Å; L262-F292 HydrophobicContact CD1-CB 3.95Å; L262-F292 HydrophobicContact CD2-CB 3.64Å; L262-F292 HydrophobicContact CD2-CG 4.31Å; L262-F292 HydrophobicContact CG-CB 4.46Å; L289-F292 PolarHBondContact O-N 3.05Å; G290-F292 PolarHBondContact O-N 3.41Å; F292-I296 WeakPolarHBondContact O-CD1 3.46Å; F292-I296 WeakPolarHBondContact O-CG1 3.35Å |
| 293 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -68.8 | -46.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L262 L289 G290 I296 F297 Y405 | L262-A293 HydrophobicContact CD1-CB 3.75Å; L289-A293 HydrophobicContact CG-CB 4.48Å; L289-A293 WeakPolarHBondContact O-CB 3.44Å; L289-A293 PolarHBondContact O-N 2.96Å; G290-A293 PolarHBondContact O-N 3.34Å; A293-I296 WeakPolarHBondContact O-CB 3.37Å; A293-I296 PolarHBondContact O-N 3.43Å; A293-F297 HydrophobicContact CB-CD2 4.43Å; A293-F297 VanDerWaalsContact O-CD2 3.31Å; A293-F297 WeakPolarHBondContact O-CD2 3.25Å; A293-F297 PolarHBondContact O-N 2.85Å; A293-Y405 HydrophobicContact CB-CE1 4.06Å; A293-Y405 HydrophobicContact CB-CE2 3.92Å; A293-Y405 WeakPolarHBondContact CB-OH 3.4Å |
| 294 | T | 98.7 | Very high | 98.4 | Very high | 13 Ų | 13 | 17.7 Ų | 17.7 | 8% | 0.08 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.5 | -41.6 | -174 | -54.8 | 0 | 0 | 0 | 0 | 113.1 | G290 I296 F297 H298 G299 D300 P302 Y405 | G290-T294 WeakPolarHBondContact O-CB 3.46Å; G290-T294 PolarHBondContact O-N 3.43Å; G290-T294 PolarHBondContact O-OG1 2.88Å; T294-I296 VanDerWaalsContact C-N 3.27Å; T294-I296 PolarHBondContact O-N 3.34Å; T294-F297 PolarHBondContact O-N 2.98Å; T294-H298 HydrophobicContact CG2-CB 4.01Å; T294-H298 WeakPolarHBondContact O-CA 3.44Å; T294-H298 WeakPolarHBondContact O-CB 3.45Å; T294-H298 PolarHBondContact O-N 3.17Å; T294-G299 PolarHBondContact O-N 3.41Å; T294-D300 CarbonylContact C-O 3.59Å; T294-D300 VanDerWaalsContact C-O 3.27Å; T294-D300 WeakPolarHBondContact CG2-O 3.23Å; T294-P302 HydrophobicContact CG2-CG 4.39Å; T294-Y405 PolarHBondContact OG1-OH 2.97Å |
| 295 | P | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -56.7 | -41.3 | 171.7 | -28.8 | 36.9 | 0 | 0 | 0 | 113 | I236 W291 G299 D300 Y301 F326 I334 | I236-P295 HydrophobicContact CD1-CB 4.37Å; I236-P295 HydrophobicContact CD1-CG 4.04Å; I236-P295 HydrophobicContact CG2-CB 3.94Å; W291-P295 VanDerWaalsContact O-CD 3.31Å; W291-P295 WeakPolarHBondContact O-CD 3.46Å; W291-P295 WeakPolarHBondContact O-CG 3.38Å; P295-G299 CarbonylContact O-C 3.58Å; P295-G299 WeakPolarHBondContact O-CA 3.48Å; P295-G299 PolarHBondContact O-N 2.91Å; P295-D300 WeakPolarHBondContact CA-O 3.24Å; P295-D300 WeakPolarHBondContact CD-O 3.44Å; P295-D300 VanDerWaalsContact N-O 3.12Å; P295-Y301 HydrophobicContact CG-CD1 3.63Å; P295-Y301 HydrophobicContact CG-CE1 3.97Å; P295-Y301 HydrophobicContact CG-CG 4.44Å; P295-F326 HydrophobicContact CB-CE2 4.14Å; P295-F326 HydrophobicContact CG-CE2 4.28Å; P295-I334 HydrophobicContact CB-CG2 4.14Å; P295-I334 WeakPolarHBondContact O-CG2 3.38Å |
| 296 | I | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.01 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -70.1 | -42.5 | -178.1 | -66.2 | 170.1 | 0 | 0 | 0 | 111.4 | I260 F292 A293 T294 K335 G336 C338 | I260-I296 HydrophobicContact CD1-CD1 4.16Å; I260-I296 HydrophobicContact CG2-CD1 3.79Å; F292-I296 WeakPolarHBondContact O-CD1 3.46Å; F292-I296 WeakPolarHBondContact O-CG1 3.35Å; A293-I296 WeakPolarHBondContact O-CB 3.37Å; A293-I296 PolarHBondContact O-N 3.43Å; T294-I296 VanDerWaalsContact C-N 3.27Å; T294-I296 PolarHBondContact O-N 3.34Å; I296-K335 CarbonylContact O-C 3.23Å; I296-K335 WeakPolarHBondContact O-CA 3.33Å; I296-G336 PolarHBondContact O-N 3.29Å; I296-C338 HydrophobicContact CG2-CB 3.41Å; I296-C338 VanDerWaalsContact CG2-CB 3.41Å |
| 297 | F | 98.6 | Very high | 98.4 | Very high | 39 Ų | 39 | 23.3 Ų | 23.3 | 17% | 0.171 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -87.6 | -36.7 | -177.2 | -74.5 | -83.4 | 0 | 0 | 0 | 113.3 | A293 T294 L341 Y405 P408 | A293-F297 HydrophobicContact CB-CD2 4.43Å; A293-F297 VanDerWaalsContact O-CD2 3.31Å; A293-F297 WeakPolarHBondContact O-CD2 3.25Å; A293-F297 PolarHBondContact O-N 2.85Å; T294-F297 PolarHBondContact O-N 2.98Å; F297-L341 HydrophobicContact CE2-CD1 4.44Å; F297-L341 HydrophobicContact CE2-CD2 4.09Å; F297-L341 HydrophobicContact CZ-CB 4.34Å; F297-L341 HydrophobicContact CZ-CD2 4.35Å; F297-Y405 HydrophobicContact CB-CD1 3.68Å; F297-Y405 HydrophobicContact CB-CE1 4.41Å; F297-Y405 HydrophobicContact CB-CG 4.42Å; F297-Y405 AromaticContact CD2-CD1 3.81Å; F297-Y405 HydrophobicContact CD2-CD1 3.81Å; F297-Y405 HydrophobicContact CD2-CE1 4.41Å; F297-Y405 AromaticContact CD2-CG 3.95Å; F297-Y405 HydrophobicContact CD2-CG 3.95Å; F297-Y405 HydrophobicContact CE2-CG 4.41Å; F297-Y405 AromaticContact CG-CD1 3.78Å; F297-Y405 HydrophobicContact CG-CD1 3.78Å; F297-Y405 HydrophobicContact CG-CG 4.05Å; F297-P408 HydrophobicContact CE1-CB 3.86Å; F297-P408 HydrophobicContact CE1-CG 4.3Å; F297-P408 HydrophobicContact CZ-CB 3.92Å; F297-P408 HydrophobicContact CZ-CG 4.16Å |
| 298 | H | 98.3 | Very high | 98.3 | Very high | 96 Ų | 96 | 24.7 Ų | 24.7 | 44% | 0.444 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -114.1 | -12.3 | -171.4 | -58.2 | 158.9 | 0 | 0 | 0 | 113.9 | T294 Q404 Y405 | T294-H298 HydrophobicContact CG2-CB 4.01Å; T294-H298 WeakPolarHBondContact O-CA 3.44Å; T294-H298 WeakPolarHBondContact O-CB 3.45Å; T294-H298 PolarHBondContact O-N 3.17Å; H298-Q404 PolarHBondContact CE1-O 2.93Å; H298-Q404 VanDerWaalsContact CE1-O 3.22Å; H298-Q404 PolarHBondContact NE2-O 3.02Å; H298-Y405 AromaticContact CE1-CD1 3.99Å |
| 299 | G | 98.3 | Very high | 98.2 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 93.5 | -6.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | T294 P295 K331 | T294-G299 PolarHBondContact O-N 3.41Å; P295-G299 CarbonylContact O-C 3.58Å; P295-G299 WeakPolarHBondContact O-CA 3.48Å; P295-G299 PolarHBondContact O-N 2.91Å; G299-K331 WeakPolarHBondContact CA-O 3.27Å; G299-K331 WeakPolarHBondContact O-CA 3.23Å; G299-K331 WeakPolarHBondContact O-CB 3.48Å; G299-K331 WeakPolarHBondContact O-CG 3.47Å |
| 300 | D | 98.7 | Very high | 98.1 | Very high | 22 Ų | 22 | 24.4 Ų | 24.4 | 12% | 0.118 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -145.3 | 169.2 | 178.7 | -162.1 | 13.6 | 0 | 0 | 0 | 111.1 | T294 P295 K306 K331 | T294-D300 CarbonylContact C-O 3.59Å; T294-D300 VanDerWaalsContact C-O 3.27Å; T294-D300 WeakPolarHBondContact CG2-O 3.23Å; P295-D300 WeakPolarHBondContact CA-O 3.24Å; P295-D300 WeakPolarHBondContact CD-O 3.44Å; P295-D300 VanDerWaalsContact N-O 3.12Å; D300-K306 IonicContact OD2-NZ 3.86Å; D300-K306 PolarHBondContact OD2-NZ 3.38Å; D300-K331 HydrophobicContact CB-CD 4.12Å; D300-K331 HydrophobicContact CB-CG 4.4Å; D300-K331 VanDerWaalsContact CG-CE 3.4Å; D300-K331 IonicContact OD1-NZ 3.84Å; D300-K331 VanDerWaalsContact OD2-CE 3.31Å; D300-K331 WeakPolarHBondContact OD2-CE 3.48Å; D300-K331 IonicContact OD2-NZ 3.99Å; D300-K331 PolarHBondContact OD2-NZ 2.78Å |
| 301 | Y | 98.9 | Very high | 97.9 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 2% | 0.02 | 14% | 0.142 | C | C | . | . | trans | -62.7 | 153.1 | 174 | -66.9 | -59.7 | 0 | 0 | 0 | 112.4 | H233 I236 W291 P295 Q303 K306 L323 P324 F326 | H233-Y301 VanDerWaalsContact CA-OH 3.28Å; H233-Y301 WeakPolarHBondContact CA-OH 3.45Å; H233-Y301 WeakPolarHBondContact CB-OH 3.44Å; H233-Y301 AromaticContact ND1-CE2 3.87Å; H233-Y301 AromaticContact ND1-CZ 3.8Å; H233-Y301 PolarHBondContact ND1-OH 2.96Å; I236-Y301 HydrophobicContact CD1-CE1 3.62Å; W291-Y301 AromaticContact CD1-CD1 3.72Å; W291-Y301 AromaticContact CD1-CE1 3.67Å; W291-Y301 AromaticContact NE1-CE1 3.69Å; P295-Y301 HydrophobicContact CG-CD1 3.63Å; P295-Y301 HydrophobicContact CG-CE1 3.97Å; P295-Y301 HydrophobicContact CG-CG 4.44Å; Y301-Q303 PolarHBondContact O-N 3.22Å; Y301-K306 WeakPolarHBondContact O-CE 3.3Å; Y301-L323 HydrophobicContact CD2-CD1 4.12Å; Y301-L323 HydrophobicContact CD2-CD2 4.02Å; Y301-L323 HydrophobicContact CD2-CG 4.06Å; Y301-L323 HydrophobicContact CE1-CD1 4.5Å; Y301-L323 HydrophobicContact CE2-CD1 3.99Å; Y301-L323 HydrophobicContact CE2-CG 4.23Å; Y301-L323 HydrophobicContact CG-CD1 4.43Å; Y301-L323 HydrophobicContact CG-CD2 4.2Å; Y301-P324 WeakPolarHBondContact CE2-O 3.46Å; Y301-F326 HydrophobicContact CD1-CE2 4.17Å; Y301-F326 HydrophobicContact CD2-CD2 4.06Å; Y301-F326 AromaticContact CD2-CE2 3.82Å; Y301-F326 HydrophobicContact CD2-CE2 3.82Å; Y301-F326 AromaticContact CE1-CE2 3.76Å; Y301-F326 HydrophobicContact CE1-CE2 3.76Å; Y301-F326 HydrophobicContact CE1-CZ 4.1Å; Y301-F326 AromaticContact CE2-CD2 3.81Å; Y301-F326 HydrophobicContact CE2-CD2 3.81Å; Y301-F326 AromaticContact CE2-CE2 3.34Å; Y301-F326 HydrophobicContact CE2-CE2 3.34Å; Y301-F326 AromaticContact CE2-CZ 3.88Å; Y301-F326 HydrophobicContact CE2-CZ 3.88Å; Y301-F326 HydrophobicContact CG-CE2 4.21Å; Y301-F326 AromaticContact CZ-CE2 3.32Å; Y301-F326 AromaticContact CZ-CZ 3.52Å; Y301-F326 WeakPolarHBondContact OH-CZ 3.38Å | ||
| 302 | P | 98.6 | Very high | 97.6 | Very high | 5 Ų | 5 | 29.5 Ų | 29.5 | 3% | 0.032 | 14% | 0.144 | C | C | . | . | trans | -50.6 | 135.5 | 172 | -23.7 | 32.1 | 0 | 0 | 0 | 111.3 | Q286 G290 T294 V304 M305 K306 | Q286-P302 HydrophobicContact CB-CB 4.16Å; Q286-P302 HydrophobicContact CB-CG 4.39Å; G290-P302 VanDerWaalsContact O-CG 3.31Å; G290-P302 WeakPolarHBondContact O-CG 3.32Å; T294-P302 HydrophobicContact CG2-CG 4.39Å; P302-V304 VanDerWaalsContact C-N 3.31Å; P302-V304 HydrophobicContact CB-CG1 4.14Å; P302-V304 PolarHBondContact O-N 3.41Å; P302-M305 HydrophobicContact CB-CB 4.14Å; P302-M305 WeakPolarHBondContact O-CB 3.34Å; P302-M305 PolarHBondContact O-N 2.71Å; P302-K306 PolarHBondContact O-N 3.4Å; P302-K306 VanDerWaalsContact O-N 3.16Å | ||
| 303 | Q | 98.2 | Very high | 97.3 | Very high | 106 Ų | 106 | 29.4 Ų | 29.4 | 50% | 0.495 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -60.8 | -42.7 | -177.4 | -171 | 58.8 | 46 | 0 | 0 | 111.5 | Y301 M305 K306 D307 | Y301-Q303 PolarHBondContact O-N 3.22Å; Q303-M305 PolarHBondContact O-N 2.91Å; Q303-K306 PolarHBondContact O-N 3.29Å; Q303-K306 VanDerWaalsContact O-N 3.11Å; Q303-D307 PolarHBondContact NE2-OD1 3.5Å; Q303-D307 VanDerWaalsContact O-CG 3.26Å; Q303-D307 PolarHBondContact O-N 2.9Å |
| 304 | V | 97.8 | Very high | 97 | Very high | 37 Ų | 37 | 34.6 Ų | 34.6 | 22% | 0.224 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -54.9 | -36.2 | 175.2 | 67.7 | 0 | 0 | 0 | 0 | 112.5 | R283 Q286 P302 F308 | R283-V304 HydrophobicContact CB-CG2 4Å; R283-V304 HydrophobicContact CG-CG2 3.74Å; Q286-V304 HydrophobicContact CB-CG1 3.64Å; Q286-V304 HydrophobicContact CG-CG1 3.97Å; P302-V304 VanDerWaalsContact C-N 3.31Å; P302-V304 HydrophobicContact CB-CG1 4.14Å; P302-V304 PolarHBondContact O-N 3.41Å; V304-F308 HydrophobicContact CG2-CD2 3.89Å; V304-F308 HydrophobicContact CG2-CE2 3.92Å; V304-F308 WeakPolarHBondContact O-CB 3.34Å; V304-F308 VanDerWaalsContact O-CD2 3.22Å; V304-F308 WeakPolarHBondContact O-CD2 3.41Å; V304-F308 PolarHBondContact O-N 3.48Å; V304-F308 VanDerWaalsContact O-N 3.11Å |
| 305 | M | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.9 | -45 | 178.9 | -169.2 | 179.2 | -174.2 | 0 | 0 | 111.8 | Y229 F287 W291 P302 Q303 D307 V309 L323 | Y229-M305 HydrophobicContact CD1-CE 3.84Å; Y229-M305 HydrophobicContact CE1-CE 3.38Å; F287-M305 HydrophobicContact CD1-CE 3.99Å; F287-M305 HydrophobicContact CD1-CG 4.05Å; F287-M305 HydrophobicContact CD1-SD 4.47Å; F287-M305 HydrophobicContact CD2-CB 4.22Å; F287-M305 HydrophobicContact CD2-CG 4.19Å; F287-M305 HydrophobicContact CE1-CE 4.16Å; F287-M305 HydrophobicContact CE1-CG 3.77Å; F287-M305 HydrophobicContact CE2-CB 3.9Å; F287-M305 HydrophobicContact CE2-CG 3.92Å; F287-M305 HydrophobicContact CG-CG 4.29Å; F287-M305 HydrophobicContact CZ-CB 4.13Å; F287-M305 HydrophobicContact CZ-CG 3.71Å; W291-M305 HydrophobicContact CB-SD 3.99Å; W291-M305 HydrophobicContact CD2-CE 3.6Å; W291-M305 HydrophobicContact CD2-SD 4.17Å; W291-M305 HydrophobicContact CE3-CE 4.22Å; W291-M305 HydrophobicContact CG-CE 3.7Å; W291-M305 HydrophobicContact CG-SD 3.6Å; W291-M305 VanDerWaalsContact CG-SD 3.6Å; W291-M305 HydrophobicContact CZ2-CE 4.13Å; P302-M305 HydrophobicContact CB-CB 4.14Å; P302-M305 WeakPolarHBondContact O-CB 3.34Å; P302-M305 PolarHBondContact O-N 2.71Å; Q303-M305 PolarHBondContact O-N 2.91Å; M305-D307 VanDerWaalsContact C-N 3.3Å; M305-D307 PolarHBondContact O-N 3.29Å; M305-V309 HydrophobicContact CG-CG2 4.31Å; M305-V309 WeakPolarHBondContact O-CB 3.49Å; M305-V309 VanDerWaalsContact O-CG2 3.3Å; M305-V309 WeakPolarHBondContact O-CG2 3.43Å; M305-V309 PolarHBondContact O-N 3.43Å; M305-L323 HydrophobicContact CE-CD1 4.19Å; M305-L323 HydrophobicContact CG-CD2 4.13Å; M305-L323 HydrophobicContact SD-CD2 4.49Å |
| 306 | K | 98.5 | Very high | 96 | Very high | 58 Ų | 58 | 41 Ų | 41 | 25% | 0.252 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59 | -43.7 | 176.1 | -68 | -176.2 | -69 | 178 | 0 | 111.5 | D300 Y301 P302 Q303 G310 L323 | D300-K306 IonicContact OD2-NZ 3.86Å; D300-K306 PolarHBondContact OD2-NZ 3.38Å; Y301-K306 WeakPolarHBondContact O-CE 3.3Å; P302-K306 PolarHBondContact O-N 3.4Å; P302-K306 VanDerWaalsContact O-N 3.16Å; Q303-K306 PolarHBondContact O-N 3.29Å; Q303-K306 VanDerWaalsContact O-N 3.11Å; K306-G310 WeakPolarHBondContact O-CA 3.29Å; K306-G310 PolarHBondContact O-N 2.98Å; K306-L323 HydrophobicContact CG-CD2 3.89Å |
| 307 | D | 97.5 | Very high | 95.6 | Very high | 77 Ų | 77 | 44.2 Ų | 44.2 | 41% | 0.412 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68 | -46 | -177.2 | -64.8 | -19.8 | 0 | 0 | 0 | 112 | Q303 M305 R311 | Q303-D307 PolarHBondContact NE2-OD1 3.5Å; Q303-D307 VanDerWaalsContact O-CG 3.26Å; Q303-D307 PolarHBondContact O-N 2.9Å; M305-D307 VanDerWaalsContact C-N 3.3Å; M305-D307 PolarHBondContact O-N 3.29Å; D307-R311 WeakPolarHBondContact O-CB 3.25Å; D307-R311 PolarHBondContact O-N 2.95Å |
| 308 | F | 95.9 | Very high | 95.2 | Very high | 28 Ų | 28 | 45.9 Ų | 45.9 | 12% | 0.123 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.6 | -46.8 | -178.2 | -87.4 | -105.9 | 0 | 0 | 0 | 112.3 | F287 V304 G310 R311 K312 D368 D370 | F287-F308 HydrophobicContact CE2-CB 4.37Å; F287-F308 HydrophobicContact CZ-CB 3.97Å; V304-F308 HydrophobicContact CG2-CD2 3.89Å; V304-F308 HydrophobicContact CG2-CE2 3.92Å; V304-F308 WeakPolarHBondContact O-CB 3.34Å; V304-F308 VanDerWaalsContact O-CD2 3.22Å; V304-F308 WeakPolarHBondContact O-CD2 3.41Å; V304-F308 PolarHBondContact O-N 3.48Å; V304-F308 VanDerWaalsContact O-N 3.11Å; F308-G310 PolarHBondContact O-N 2.78Å; F308-R311 VanDerWaalsContact CE1-NH1 3.25Å; F308-R311 PolarHBondContact O-N 3.01Å; F308-K312 VanDerWaalsContact O-CG 3.3Å; F308-K312 WeakPolarHBondContact O-CG 3.4Å; F308-K312 PolarHBondContact O-N 3.3Å; F308-D368 WeakPolarHBondContact CB-O 3.43Å; F308-D370 HydrophobicContact CD1-CB 4.24Å; F308-D370 HydrophobicContact CE1-CB 3.91Å |
| 309 | V | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65 | -43.2 | 177.5 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | Y229 F287 M305 R311 K312 S313 R322 L323 D368 | Y229-V309 HydrophobicContact CD2-CG1 4.46Å; Y229-V309 HydrophobicContact CE1-CG2 4.3Å; Y229-V309 HydrophobicContact CE2-CG1 3.89Å; Y229-V309 HydrophobicContact CE2-CG2 4.29Å; Y229-V309 WeakPolarHBondContact OH-CG2 3.48Å; F287-V309 HydrophobicContact CE1-CG2 3.98Å; F287-V309 HydrophobicContact CZ-CG2 4.13Å; M305-V309 HydrophobicContact CG-CG2 4.31Å; M305-V309 WeakPolarHBondContact O-CB 3.49Å; M305-V309 VanDerWaalsContact O-CG2 3.3Å; M305-V309 WeakPolarHBondContact O-CG2 3.43Å; M305-V309 PolarHBondContact O-N 3.43Å; V309-R311 PolarHBondContact O-N 2.8Å; V309-K312 PolarHBondContact O-N 3.4Å; V309-S313 WeakPolarHBondContact O-CB 3.39Å; V309-S313 PolarHBondContact O-N 2.94Å; V309-S313 PolarHBondContact O-OG 3.47Å; V309-S313 VanDerWaalsContact O-OG 3.05Å; V309-R322 HydrophobicContact CG1-CB 4.13Å; V309-L323 HydrophobicContact CB-CB 4.12Å; V309-L323 HydrophobicContact CG1-CB 3.8Å; V309-D368 HydrophobicContact CG2-CB 4.1Å |
| 310 | G | 95.8 | Very high | 94.5 | Very high | 18 Ų | 18 | 50.7 Ų | 50.7 | 19% | 0.186 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60 | -46.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K306 F308 K312 S313 V314 | K306-G310 WeakPolarHBondContact O-CA 3.29Å; K306-G310 PolarHBondContact O-N 2.98Å; F308-G310 PolarHBondContact O-N 2.78Å; G310-K312 PolarHBondContact O-N 3.04Å; G310-S313 WeakPolarHBondContact O-CB 3.31Å; G310-S313 PolarHBondContact O-N 3.29Å; G310-V314 WeakPolarHBondContact O-CG2 3.39Å; G310-V314 PolarHBondContact O-N 2.84Å |
| 311 | R | 93.6 | Very high | 94.4 | Very high | 99 Ų | 99 | 52 Ų | 52 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 175.8 | -170.4 | -166.1 | -45 | 123.5 | 7.3 | 111.7 | D307 F308 V309 S313 V314 Q315 | D307-R311 WeakPolarHBondContact O-CB 3.25Å; D307-R311 PolarHBondContact O-N 2.95Å; F308-R311 VanDerWaalsContact CE1-NH1 3.25Å; F308-R311 PolarHBondContact O-N 3.01Å; V309-R311 PolarHBondContact O-N 2.8Å; R311-S313 VanDerWaalsContact C-N 3.34Å; R311-S313 PolarHBondContact O-N 3.28Å; R311-V314 PolarHBondContact O-N 2.99Å; R311-Q315 VanDerWaalsContact O-CG 3.32Å; R311-Q315 WeakPolarHBondContact O-CG 3.44Å; R311-Q315 PolarHBondContact O-N 2.93Å |
| 312 | K | 92.3 | Very high | 94.3 | Very high | 9 Ų | 9 | 52.9 Ų | 52.9 | 4% | 0.039 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 177.1 | -69.5 | -79.5 | -174 | 177.5 | 0 | 111.3 | F308 V309 G310 V314 Q315 Q316 D356 T358 T367 D368 D370 | F308-K312 VanDerWaalsContact O-CG 3.3Å; F308-K312 WeakPolarHBondContact O-CG 3.4Å; F308-K312 PolarHBondContact O-N 3.3Å; V309-K312 PolarHBondContact O-N 3.4Å; G310-K312 PolarHBondContact O-N 3.04Å; K312-V314 PolarHBondContact O-N 3.38Å; K312-Q315 PolarHBondContact O-N 3.34Å; K312-Q316 WeakPolarHBondContact O-CB 3.31Å; K312-Q316 WeakPolarHBondContact O-CG 3.34Å; K312-Q316 PolarHBondContact O-N 2.78Å; K312-Q316 PolarHBondContact O-OE1 3.36Å; K312-D356 PolarHBondContact NZ-O 3.46Å; K312-T358 HydrophobicContact CD-CG2 4.42Å; K312-T367 WeakPolarHBondContact CE-O 3.48Å; K312-D368 WeakPolarHBondContact CB-OD1 3.13Å; K312-D370 VanDerWaalsContact CE-OD1 3.29Å; K312-D370 WeakPolarHBondContact CE-OD1 3.28Å; K312-D370 WeakPolarHBondContact CE-OD2 3.49Å; K312-D370 IonicContact NZ-OD1 2.71Å; K312-D370 PolarHBondContact NZ-OD1 3.31Å; K312-D370 IonicContact NZ-OD2 3.39Å; K312-D370 PolarHBondContact NZ-OD2 2.76Å |
| 313 | S | 93.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.007 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 174.2 | -66.6 | 0 | 0 | 0 | 0 | 112.6 | V309 G310 R311 Q316 G317 L318 R322 | V309-S313 WeakPolarHBondContact O-CB 3.39Å; V309-S313 PolarHBondContact O-N 2.94Å; V309-S313 PolarHBondContact O-OG 3.47Å; V309-S313 VanDerWaalsContact O-OG 3.05Å; G310-S313 WeakPolarHBondContact O-CB 3.31Å; G310-S313 PolarHBondContact O-N 3.29Å; R311-S313 VanDerWaalsContact C-N 3.34Å; R311-S313 PolarHBondContact O-N 3.28Å; S313-Q316 WeakPolarHBondContact O-CB 3.38Å; S313-Q316 PolarHBondContact O-N 2.96Å; S313-G317 PolarHBondContact O-N 3.19Å; S313-L318 WeakPolarHBondContact O-CB 3.32Å; S313-L318 PolarHBondContact O-N 3.41Å; S313-R322 PolarHBondContact OG-N 2.84Å; S313-R322 PolarHBondContact OG-NE 2.78Å |
| 314 | V | 92.4 | Very high | 94.3 | Very high | 110 Ų | 110 | 49.9 Ų | 49.9 | 67% | 0.667 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -63.8 | -45.2 | 174.9 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | G310 R311 K312 Q316 G317 | G310-V314 WeakPolarHBondContact O-CG2 3.39Å; G310-V314 PolarHBondContact O-N 2.84Å; R311-V314 PolarHBondContact O-N 2.99Å; K312-V314 PolarHBondContact O-N 3.38Å; V314-Q316 PolarHBondContact O-N 2.86Å; V314-G317 PolarHBondContact O-N 3.19Å |
| 315 | Q | 89.4 | Confident | 94.3 | Very high | 100 Ų | 100 | 52.2 Ų | 52.2 | 47% | 0.467 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.4 | -27.3 | 176.5 | -71.6 | 168.9 | -11.2 | 0 | 0 | 112.8 | R311 K312 G317 T358 | R311-Q315 VanDerWaalsContact O-CG 3.32Å; R311-Q315 WeakPolarHBondContact O-CG 3.44Å; R311-Q315 PolarHBondContact O-N 2.93Å; K312-Q315 PolarHBondContact O-N 3.34Å; Q315-G317 VanDerWaalsContact C-N 3.26Å; Q315-G317 PolarHBondContact O-N 2.89Å; Q315-T358 HydrophobicContact CB-CG2 4.13Å; Q315-T358 HydrophobicContact CG-CG2 4.5Å |
| 316 | Q | 86.9 | Confident | 94.3 | Very high | 46 Ų | 46 | 52.6 Ų | 52.6 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -2.7 | 174.3 | -68.5 | 154.8 | -0.7 | 0 | 0 | 113.4 | K312 S313 V314 L318 N363 | K312-Q316 WeakPolarHBondContact O-CB 3.31Å; K312-Q316 WeakPolarHBondContact O-CG 3.34Å; K312-Q316 PolarHBondContact O-N 2.78Å; K312-Q316 PolarHBondContact O-OE1 3.36Å; S313-Q316 WeakPolarHBondContact O-CB 3.38Å; S313-Q316 PolarHBondContact O-N 2.96Å; V314-Q316 PolarHBondContact O-N 2.86Å; Q316-L318 VanDerWaalsContact C-N 3.34Å; Q316-L318 HydrophobicContact CB-CD1 4.36Å; Q316-L318 HydrophobicContact CB-CG 4.11Å; Q316-N363 WeakPolarHBondContact CG-OD1 3.12Å; Q316-N363 PolarHBondContact NE2-OD1 3.1Å |
| 317 | G | 90 | Very high | 94.3 | Very high | 70 Ų | 70 | 52.1 Ų | 52.1 | 72% | 0.722 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 20.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S313 V314 Q315 | S313-G317 PolarHBondContact O-N 3.19Å; V314-G317 PolarHBondContact O-N 3.19Å; Q315-G317 VanDerWaalsContact C-N 3.26Å; Q315-G317 PolarHBondContact O-N 2.89Å |
| 318 | L | 90.4 | Very high | 94.4 | Very high | 75 Ų | 75 | 53 Ų | 53 | 39% | 0.393 | 35% | 0.345 | S | S | . | . | trans | -82.5 | 134.1 | 175.9 | -57.8 | 176.1 | 0 | 0 | 0 | 110 | S313 Q316 T320 R322 | S313-L318 WeakPolarHBondContact O-CB 3.32Å; S313-L318 PolarHBondContact O-N 3.41Å; Q316-L318 VanDerWaalsContact C-N 3.34Å; Q316-L318 HydrophobicContact CB-CD1 4.36Å; Q316-L318 HydrophobicContact CB-CG 4.11Å; L318-T320 WeakPolarHBondContact CB-O 3.21Å; L318-T320 PolarHBondContact O-N 3.22Å; L318-R322 HydrophobicContact CD1-CG 3.53Å | ||
| 319 | G | 89.4 | Confident | 94.5 | Very high | 85 Ų | 85 | 58.6 Ų | 58.6 | 88% | 0.876 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -72.8 | -8.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 320 | T | 93.5 | Very high | 94.6 | Very high | 113 Ų | 113 | 60.9 Ų | 60.9 | 69% | 0.693 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -142.9 | 154.3 | 179 | 51.9 | 0 | 0 | 0 | 0 | 110.7 | L318 | L318-T320 WeakPolarHBondContact CB-O 3.21Å; L318-T320 PolarHBondContact O-N 3.22Å |
| 321 | S | 96.4 | Very high | 94.8 | Very high | 50 Ų | 50 | 63.4 Ų | 63.4 | 35% | 0.35 | 39% | 0.388 | S | S | . | . | trans | -63.3 | 141.9 | 174.3 | -175.9 | 0 | 0 | 0 | 0 | 111 | L323 | S321-L323 VanDerWaalsContact C-N 3.25Å; S321-L323 PolarHBondContact OG-N 3.02Å; S321-L323 PolarHBondContact OG-O 3.28Å | ||
| 322 | R | 96.5 | Very high | 95 | Very high | 24 Ų | 24 | 63.1 Ų | 63.1 | 9% | 0.091 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -70.6 | -23.2 | 171.4 | -72.1 | 177.7 | -68 | 110.4 | 0.7 | 112.6 | G225 T226 Y229 V309 S313 L318 P324 D368 | G225-R322 VanDerWaalsContact CA-NH1 3.35Å; G225-R322 WeakPolarHBondContact O-CB 3.44Å; G225-R322 VanDerWaalsContact O-CD 3.24Å; G225-R322 WeakPolarHBondContact O-CD 3.39Å; G225-R322 PolarHBondContact O-NH1 2.53Å; T226-R322 HydrophobicContact CG2-CB 4.41Å; T226-R322 HydrophobicContact CG2-CG 3.99Å; Y229-R322 HydrophobicContact CD2-CB 4.17Å; Y229-R322 HydrophobicContact CE2-CB 4.45Å; V309-R322 HydrophobicContact CG1-CB 4.13Å; S313-R322 PolarHBondContact OG-N 2.84Å; S313-R322 PolarHBondContact OG-NE 2.78Å; L318-R322 HydrophobicContact CD1-CG 3.53Å; R322-P324 WeakPolarHBondContact O-CD 3.4Å; R322-D368 IonicContact CZ-OD1 3.58Å; R322-D368 IonicContact CZ-OD2 3.39Å; R322-D368 IonicContact NH1-OD1 3.6Å; R322-D368 IonicContact NH1-OD2 2.74Å; R322-D368 PolarHBondContact NH1-OD2 3.02Å; R322-D368 VanDerWaalsContact NH2-CG 3.33Å; R322-D368 IonicContact NH2-OD1 2.66Å; R322-D368 PolarHBondContact NH2-OD1 3.15Å; R322-D368 IonicContact NH2-OD2 3.21Å; R322-D368 PolarHBondContact NH2-OD2 3.4Å |
| 323 | L | 98.1 | Very high | 95.3 | Very high | 9 Ų | 9 | 67.5 Ų | 67.5 | 5% | 0.047 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -78.9 | 117.5 | 170.3 | -178.5 | 65.2 | 0 | 0 | 0 | 108.7 | Y229 Y301 M305 K306 V309 S321 | Y229-L323 HydrophobicContact CD1-CD1 3.85Å; Y229-L323 HydrophobicContact CG-CD1 4.17Å; Y301-L323 HydrophobicContact CD2-CD1 4.12Å; Y301-L323 HydrophobicContact CD2-CD2 4.02Å; Y301-L323 HydrophobicContact CD2-CG 4.06Å; Y301-L323 HydrophobicContact CE1-CD1 4.5Å; Y301-L323 HydrophobicContact CE2-CD1 3.99Å; Y301-L323 HydrophobicContact CE2-CG 4.23Å; Y301-L323 HydrophobicContact CG-CD1 4.43Å; Y301-L323 HydrophobicContact CG-CD2 4.2Å; M305-L323 HydrophobicContact CE-CD1 4.19Å; M305-L323 HydrophobicContact CG-CD2 4.13Å; M305-L323 HydrophobicContact SD-CD2 4.49Å; K306-L323 HydrophobicContact CG-CD2 3.89Å; V309-L323 HydrophobicContact CB-CB 4.12Å; V309-L323 HydrophobicContact CG1-CB 3.8Å; S321-L323 VanDerWaalsContact C-N 3.25Å; S321-L323 PolarHBondContact OG-N 3.02Å; S321-L323 PolarHBondContact OG-O 3.28Å |
| 324 | P | 98 | Very high | 95.6 | Very high | 39 Ų | 39 | 67.5 Ų | 67.5 | 25% | 0.253 | 42% | 0.418 | S | S | . | . | trans | -59 | 153.3 | 175 | -23.1 | 34.2 | 0 | 0 | 0 | 111.5 | H233 Y301 R322 | H233-P324 HydrophobicContact CB-CB 4.22Å; H233-P324 HydrophobicContact CB-CG 4.04Å; Y301-P324 WeakPolarHBondContact CE2-O 3.46Å; R322-P324 WeakPolarHBondContact O-CD 3.4Å | ||
| 325 | A | 98.2 | Very high | 95.9 | Very high | 85 Ų | 85 | 68.1 Ų | 68.1 | 70% | 0.702 | 41% | 0.412 | S | S | * | . | trans | -105.1 | 141.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 326 | F | 98.7 | Very high | 96.3 | Very high | 9 Ų | 9 | 65.6 Ų | 65.6 | 4% | 0.039 | 41% | 0.413 | C | S | . | . | trans | -80.9 | 135.1 | 165.8 | -63.5 | -63.3 | 0 | 0 | 0 | 110.1 | H233 I236 K237 P295 Y301 E330 K331 I334 | H233-F326 AromaticContact CE1-CD1 3.17Å; H233-F326 WeakPolarHBondContact CE1-CD1 3.38Å; H233-F326 AromaticContact CE1-CE1 3.09Å; H233-F326 WeakPolarHBondContact CE1-CE1 3.29Å; H233-F326 AromaticContact CE1-CG 3.93Å; H233-F326 AromaticContact CE1-CZ 3.81Å; H233-F326 AromaticContact ND1-CD1 3.76Å; H233-F326 AromaticContact ND1-CE1 3.21Å; H233-F326 WeakPolarHBondContact ND1-CE1 3.36Å; H233-F326 AromaticContact ND1-CZ 3.5Å; H233-F326 WeakPolarHBondContact ND1-CZ 3.5Å; H233-F326 AromaticContact NE2-CD1 3.94Å; H233-F326 AromaticContact NE2-CE1 3.84Å; I236-F326 HydrophobicContact CB-CZ 4.29Å; I236-F326 HydrophobicContact CD1-CZ 4.31Å; I236-F326 HydrophobicContact CG2-CZ 3.9Å; K237-F326 HydrophobicContact CD-CE1 4.34Å; K237-F326 HydrophobicContact CG-CE1 4.03Å; P295-F326 HydrophobicContact CB-CE2 4.14Å; P295-F326 HydrophobicContact CG-CE2 4.28Å; Y301-F326 HydrophobicContact CD1-CE2 4.17Å; Y301-F326 HydrophobicContact CD2-CD2 4.06Å; Y301-F326 AromaticContact CD2-CE2 3.82Å; Y301-F326 HydrophobicContact CD2-CE2 3.82Å; Y301-F326 AromaticContact CE1-CE2 3.76Å; Y301-F326 HydrophobicContact CE1-CE2 3.76Å; Y301-F326 HydrophobicContact CE1-CZ 4.1Å; Y301-F326 AromaticContact CE2-CD2 3.81Å; Y301-F326 HydrophobicContact CE2-CD2 3.81Å; Y301-F326 AromaticContact CE2-CE2 3.34Å; Y301-F326 HydrophobicContact CE2-CE2 3.34Å; Y301-F326 AromaticContact CE2-CZ 3.88Å; Y301-F326 HydrophobicContact CE2-CZ 3.88Å; Y301-F326 HydrophobicContact CG-CE2 4.21Å; Y301-F326 AromaticContact CZ-CE2 3.32Å; Y301-F326 AromaticContact CZ-CZ 3.52Å; Y301-F326 WeakPolarHBondContact OH-CZ 3.38Å; F326-E330 HydrophobicContact CB-CB 4.03Å; F326-E330 HydrophobicContact CD1-CB 4.08Å; F326-E330 HydrophobicContact CG-CB 4.47Å; F326-K331 HydrophobicContact CB-CG 3.64Å; F326-K331 WeakPolarHBondContact O-CE 3.11Å; F326-I334 HydrophobicContact CD1-CD1 3.56Å; F326-I334 HydrophobicContact CD2-CD1 4.41Å; F326-I334 HydrophobicContact CE1-CD1 3.4Å; F326-I334 VanDerWaalsContact CE1-CD1 3.4Å; F326-I334 HydrophobicContact CE2-CD1 4.27Å; F326-I334 HydrophobicContact CG-CD1 4.08Å; F326-I334 HydrophobicContact CZ-CD1 3.79Å | ||
| 327 | S | 98.5 | Very high | 96.9 | Very high | 48 Ų | 48 | 63.4 Ų | 63.4 | 34% | 0.336 | 40% | 0.402 | S | S | . | . | trans | -64.6 | 160.5 | 165.3 | 61.5 | 0 | 0 | 0 | 0 | 111.2 | Q329 E330 K331 | S327-Q329 PolarHBondContact O-N 3.24Å; S327-E330 WeakPolarHBondContact CB-OE2 3.48Å; S327-E330 PolarHBondContact N-OE2 2.81Å; S327-E330 PolarHBondContact O-N 2.64Å; S327-E330 WeakPolarHBondContact OG-CB 3.22Å; S327-E330 VanDerWaalsContact OG-CG 3.24Å; S327-E330 WeakPolarHBondContact OG-CG 3.26Å; S327-E330 PolarHBondContact OG-N 2.82Å; S327-E330 PolarHBondContact OG-OE2 2.58Å; S327-K331 WeakPolarHBondContact O-CG 3.36Å; S327-K331 PolarHBondContact O-N 3.45Å | ||
| 328 | S | 98.5 | Very high | 97.3 | Very high | 95 Ų | 95 | 61.1 Ų | 61.1 | 66% | 0.664 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -55.5 | -36.6 | 178.3 | -54.6 | 0 | 0 | 0 | 0 | 112.9 | S332 | S328-S332 PolarHBondContact O-N 3.06Å |
| 329 | Q | 98.6 | Very high | 97.7 | Very high | 145 Ų | 145 | 59.6 Ų | 59.6 | 68% | 0.678 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -66.6 | -45 | 176.3 | -65 | 81.6 | -2.8 | 0 | 0 | 111.4 | S327 S332 Y333 | S327-Q329 PolarHBondContact O-N 3.24Å; Q329-S332 PolarHBondContact O-N 2.88Å; Q329-Y333 VanDerWaalsContact O-CB 3.32Å; Q329-Y333 WeakPolarHBondContact O-CB 3.2Å; Q329-Y333 PolarHBondContact O-N 2.62Å |
| 330 | E | 98.8 | Very high | 98.1 | Very high | 48 Ų | 48 | 55.7 Ų | 55.7 | 22% | 0.224 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 177.6 | -72.7 | 162.8 | 144.8 | 0 | 0 | 111.6 | K237 F326 S327 S332 Y333 I334 | K237-E330 WeakPolarHBondContact CE-OE1 3.44Å; K237-E330 IonicContact NZ-OE1 2.6Å; K237-E330 PolarHBondContact NZ-OE1 2.75Å; F326-E330 HydrophobicContact CB-CB 4.03Å; F326-E330 HydrophobicContact CD1-CB 4.08Å; F326-E330 HydrophobicContact CG-CB 4.47Å; S327-E330 WeakPolarHBondContact CB-OE2 3.48Å; S327-E330 PolarHBondContact N-OE2 2.81Å; S327-E330 PolarHBondContact O-N 2.64Å; S327-E330 WeakPolarHBondContact OG-CB 3.22Å; S327-E330 VanDerWaalsContact OG-CG 3.24Å; S327-E330 WeakPolarHBondContact OG-CG 3.26Å; S327-E330 PolarHBondContact OG-N 2.82Å; S327-E330 PolarHBondContact OG-OE2 2.58Å; E330-S332 VanDerWaalsContact C-N 3.32Å; E330-S332 PolarHBondContact O-N 3.48Å; E330-Y333 PolarHBondContact O-N 3.22Å; E330-Y333 VanDerWaalsContact O-N 3.11Å; E330-I334 HydrophobicContact CB-CD1 4.39Å; E330-I334 WeakPolarHBondContact O-CB 3.31Å; E330-I334 WeakPolarHBondContact O-CD1 3.35Å; E330-I334 VanDerWaalsContact O-CG1 3.23Å; E330-I334 WeakPolarHBondContact O-CG1 3.49Å; E330-I334 PolarHBondContact O-N 3.46Å |
| 331 | K | 98.8 | Very high | 98.4 | Very high | 71 Ų | 71 | 50.3 Ų | 50.3 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.4 | -47.2 | 176 | -65.3 | -177.4 | -177.7 | -165.8 | 0 | 111.8 | G299 D300 F326 S327 Y333 K335 | G299-K331 WeakPolarHBondContact CA-O 3.27Å; G299-K331 WeakPolarHBondContact O-CA 3.23Å; G299-K331 WeakPolarHBondContact O-CB 3.48Å; G299-K331 WeakPolarHBondContact O-CG 3.47Å; D300-K331 HydrophobicContact CB-CD 4.12Å; D300-K331 HydrophobicContact CB-CG 4.4Å; D300-K331 VanDerWaalsContact CG-CE 3.4Å; D300-K331 IonicContact OD1-NZ 3.84Å; D300-K331 VanDerWaalsContact OD2-CE 3.31Å; D300-K331 WeakPolarHBondContact OD2-CE 3.48Å; D300-K331 IonicContact OD2-NZ 3.99Å; D300-K331 PolarHBondContact OD2-NZ 2.78Å; F326-K331 HydrophobicContact CB-CG 3.64Å; F326-K331 WeakPolarHBondContact O-CE 3.11Å; S327-K331 WeakPolarHBondContact O-CG 3.36Å; S327-K331 PolarHBondContact O-N 3.45Å; K331-Y333 VanDerWaalsContact C-N 3.32Å; K331-Y333 PolarHBondContact O-N 2.94Å; K331-K335 WeakPolarHBondContact O-CB 3.31Å; K331-K335 PolarHBondContact O-N 3.34Å; K331-K335 VanDerWaalsContact O-N 3.11Å |
| 332 | S | 98.8 | Very high | 98.5 | Very high | 93 Ų | 93 | 48 Ų | 48 | 65% | 0.65 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -67.4 | -32.1 | 176.9 | -171.3 | 0 | 0 | 0 | 0 | 112.9 | S328 Q329 E330 | S328-S332 PolarHBondContact O-N 3.06Å; Q329-S332 PolarHBondContact O-N 2.88Å; E330-S332 VanDerWaalsContact C-N 3.32Å; E330-S332 PolarHBondContact O-N 3.48Å |
| 333 | Y | 98.8 | Very high | 98.6 | Very high | 101 Ų | 101 | 46.8 Ų | 46.8 | 40% | 0.396 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -74.5 | -35.6 | -179.5 | -174.3 | -95.4 | 0 | 0 | 0 | 112.6 | A240 H244 Q329 E330 K331 T337 | A240-Y333 HydrophobicContact CB-CD1 4.03Å; A240-Y333 HydrophobicContact CB-CE1 4.01Å; H244-Y333 AromaticContact CD2-CD2 3.98Å; H244-Y333 AromaticContact CD2-CE1 3.52Å; H244-Y333 AromaticContact CD2-CE2 3.49Å; H244-Y333 VanDerWaalsContact CD2-CE2 3.49Å; H244-Y333 WeakPolarHBondContact CD2-CE2 3.49Å; H244-Y333 AromaticContact CD2-CZ 3.24Å; H244-Y333 AromaticContact CG-CE2 3.92Å; H244-Y333 AromaticContact CG-CZ 3.79Å; H244-Y333 AromaticContact NE2-CD2 3.87Å; H244-Y333 AromaticContact NE2-CE2 3.83Å; H244-Y333 AromaticContact NE2-CZ 3.98Å; H244-Y333 PolarHBondContact NE2-O 3.24Å; Q329-Y333 VanDerWaalsContact O-CB 3.32Å; Q329-Y333 WeakPolarHBondContact O-CB 3.2Å; Q329-Y333 PolarHBondContact O-N 2.62Å; E330-Y333 PolarHBondContact O-N 3.22Å; E330-Y333 VanDerWaalsContact O-N 3.11Å; K331-Y333 VanDerWaalsContact C-N 3.32Å; K331-Y333 PolarHBondContact O-N 2.94Å; Y333-T337 WeakPolarHBondContact O-CG2 3.21Å |
| 334 | I | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -81.4 | -34.7 | -179 | -63.4 | 160.4 | 0 | 0 | 0 | 111.3 | I236 K237 A240 P295 F326 E330 G336 T337 | I236-I334 HydrophobicContact CG2-CD1 4.01Å; I236-I334 HydrophobicContact CG2-CG1 4.36Å; I236-I334 HydrophobicContact CG2-CG2 3.67Å; K237-I334 HydrophobicContact CG-CD1 4.42Å; A240-I334 HydrophobicContact CB-CB 4.3Å; A240-I334 HydrophobicContact CB-CG1 3.89Å; A240-I334 HydrophobicContact CB-CG2 4.47Å; P295-I334 HydrophobicContact CB-CG2 4.14Å; P295-I334 WeakPolarHBondContact O-CG2 3.38Å; F326-I334 HydrophobicContact CD1-CD1 3.56Å; F326-I334 HydrophobicContact CD2-CD1 4.41Å; F326-I334 HydrophobicContact CE1-CD1 3.4Å; F326-I334 VanDerWaalsContact CE1-CD1 3.4Å; F326-I334 HydrophobicContact CE2-CD1 4.27Å; F326-I334 HydrophobicContact CG-CD1 4.08Å; F326-I334 HydrophobicContact CZ-CD1 3.79Å; E330-I334 HydrophobicContact CB-CD1 4.39Å; E330-I334 WeakPolarHBondContact O-CB 3.31Å; E330-I334 WeakPolarHBondContact O-CD1 3.35Å; E330-I334 VanDerWaalsContact O-CG1 3.23Å; E330-I334 WeakPolarHBondContact O-CG1 3.49Å; E330-I334 PolarHBondContact O-N 3.46Å; I334-G336 PolarHBondContact O-N 2.86Å; I334-T337 WeakPolarHBondContact O-CG2 3.35Å; I334-T337 PolarHBondContact O-N 2.77Å; I334-T337 PolarHBondContact O-OG1 2.97Å |
| 335 | K | 98.8 | Very high | 98.6 | Very high | 123 Ų | 123 | 44.6 Ų | 44.6 | 54% | 0.535 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 127.1 | -178.4 | -172.8 | 178 | 178.2 | 176.8 | 0 | 111.4 | I296 K331 | I296-K335 CarbonylContact O-C 3.23Å; I296-K335 WeakPolarHBondContact O-CA 3.33Å; K331-K335 WeakPolarHBondContact O-CB 3.31Å; K331-K335 PolarHBondContact O-N 3.34Å; K331-K335 VanDerWaalsContact O-N 3.11Å |
| 336 | G | 98.5 | Very high | 98.5 | Very high | 47 Ų | 47 | 41.2 Ų | 41.2 | 49% | 0.485 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | 9.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | I296 I334 C338 | I296-G336 PolarHBondContact O-N 3.29Å; I334-G336 PolarHBondContact O-N 2.86Å; G336-C338 PolarHBondContact O-N 3.04Å |
| 337 | T | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -82.2 | 43.6 | -175.8 | 63 | 0 | 0 | 0 | 0 | 114 | H239 A240 W243 Y333 I334 | H239-T337 PolarHBondContact CE1-O 2.86Å; H239-T337 VanDerWaalsContact CE1-O 3.29Å; H239-T337 PolarHBondContact NE2-O 2.65Å; H239-T337 PolarHBondContact NE2-OG1 3Å; A240-T337 HydrophobicContact CB-CG2 3.96Å; W243-T337 HydrophobicContact CB-CG2 4.42Å; W243-T337 HydrophobicContact CD2-CG2 4.18Å; W243-T337 HydrophobicContact CE3-CG2 3.87Å; W243-T337 HydrophobicContact CG-CG2 4.42Å; Y333-T337 WeakPolarHBondContact O-CG2 3.21Å; I334-T337 WeakPolarHBondContact O-CG2 3.35Å; I334-T337 PolarHBondContact O-N 2.77Å; I334-T337 PolarHBondContact O-OG1 2.97Å | ||
| 338 | C | 97.6 | Very high | 98.3 | Very high | 23 Ų | 23 | 38.5 Ų | 38.5 | 16% | 0.155 | 21% | 0.21 | C | C | . | . | trans | -150.4 | 116.8 | -174.8 | -171.5 | 0 | 0 | 0 | 0 | 112 | I296 G336 F340 | I296-C338 HydrophobicContact CG2-CB 3.41Å; I296-C338 VanDerWaalsContact CG2-CB 3.41Å; G336-C338 PolarHBondContact O-N 3.04Å; C338-F340 VanDerWaalsContact SG-C 3.5Å; C338-F340 PolarHBondContact SG-O 3Å | ||
| 339 | D | 98.8 | Very high | 98.2 | Very high | 42 Ų | 42 | 35 Ų | 35 | 23% | 0.225 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -85.9 | -29.7 | 179.4 | -55.1 | -25.8 | 0 | 0 | 0 | 112 | W243 R251 L257 V258 | W243-D339 PolarHBondContact NE1-OD1 2.77Å; R251-D339 IonicContact CZ-OD1 2.79Å; R251-D339 IonicContact CZ-OD2 3.27Å; R251-D339 VanDerWaalsContact CZ-OD2 3.22Å; R251-D339 IonicContact NH1-OD1 3.88Å; R251-D339 IonicContact NH1-OD2 2.69Å; R251-D339 PolarHBondContact NH1-OD2 2.68Å; R251-D339 IonicContact NH2-OD1 3.74Å; R251-D339 PolarHBondContact NH2-OD1 3.18Å; R251-D339 IonicContact NH2-OD2 3.34Å; R251-D339 PolarHBondContact NH2-OD2 2.92Å; L257-D339 WeakPolarHBondContact CA-OD2 3.09Å; L257-D339 HydrophobicContact CB-CB 4Å; L257-D339 HydrophobicContact CD2-CB 4.03Å; V258-D339 PolarHBondContact N-OD2 2.82Å; V258-D339 WeakPolarHBondContact O-CB 3.28Å; V258-D339 PolarHBondContact O-N 2.63Å |
| 340 | F | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -150.4 | 145.4 | 172.2 | 71.3 | -85.9 | 0 | 0 | 0 | 110.2 | W198 I199 L257 G259 C338 M409 Y411 | W198-F340 WeakPolarHBondContact O-CZ 3.34Å; I199-F340 HydrophobicContact CG1-CE2 4.04Å; I199-F340 HydrophobicContact CG1-CZ 3.81Å; L257-F340 HydrophobicContact CB-CD1 3.83Å; L257-F340 HydrophobicContact CB-CE1 4.03Å; L257-F340 HydrophobicContact CD1-CD1 4.49Å; G259-F340 WeakPolarHBondContact CA-O 2.78Å; C338-F340 VanDerWaalsContact SG-C 3.5Å; C338-F340 PolarHBondContact SG-O 3Å; F340-M409 CarbonylContact C-O 3.44Å; F340-M409 WeakPolarHBondContact CA-O 3.36Å; F340-M409 HydrophobicContact CB-CB 4.21Å; F340-M409 HydrophobicContact CB-CG 4.2Å; F340-M409 HydrophobicContact CB-SD 4.16Å; F340-Y411 HydrophobicContact CB-CD2 4.1Å; F340-Y411 HydrophobicContact CB-CE2 4.4Å; F340-Y411 AromaticContact CD2-CD2 3.66Å; F340-Y411 HydrophobicContact CD2-CD2 3.66Å; F340-Y411 HydrophobicContact CD2-CE2 4.46Å; F340-Y411 HydrophobicContact CD2-CG 4.3Å; F340-Y411 HydrophobicContact CE2-CD2 4.35Å; F340-Y411 AromaticContact CG-CD2 3.99Å; F340-Y411 HydrophobicContact CG-CD2 3.99Å; F340-Y411 HydrophobicContact CG-CE2 4.41Å |
| 341 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 118.3 | 175.5 | -177.2 | 59.1 | 0 | 0 | 0 | 110.1 | I260 L262 F297 I343 V401 P408 M409 I410 Y411 | I260-L341 HydrophobicContact CG2-CD1 4.16Å; L262-L341 HydrophobicContact CD1-CD1 3.85Å; L262-L341 HydrophobicContact CG-CD1 4.04Å; F297-L341 HydrophobicContact CE2-CD1 4.44Å; F297-L341 HydrophobicContact CE2-CD2 4.09Å; F297-L341 HydrophobicContact CZ-CB 4.34Å; F297-L341 HydrophobicContact CZ-CD2 4.35Å; L341-I343 HydrophobicContact CD1-CD1 4.48Å; L341-I343 HydrophobicContact CD2-CD1 3.75Å; L341-I343 HydrophobicContact CD2-CG1 4.41Å; L341-I343 HydrophobicContact CG-CD1 3.81Å; L341-I343 HydrophobicContact CG-CG1 4.23Å; L341-V401 HydrophobicContact CD2-CG1 3.75Å; L341-P408 HydrophobicContact CD2-CG 4.48Å; L341-M409 PolarHBondContact N-O 3.09Å; L341-I410 VanDerWaalsContact O-CA 3.31Å; L341-I410 WeakPolarHBondContact O-CA 3.24Å; L341-Y411 PolarHBondContact O-N 3.11Å |
| 342 | G | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 129.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | I260 L262 Y411 | I260-G342 VanDerWaalsContact O-CA 3.31Å; I260-G342 WeakPolarHBondContact O-CA 3.3Å; I260-G342 PolarHBondContact O-N 3.4Å; L262-G342 PolarHBondContact N-O 2.96Å; G342-Y411 CarbonylContact C-O 3.47Å; G342-Y411 VanDerWaalsContact CA-O 3.24Å; G342-Y411 WeakPolarHBondContact CA-O 3.31Å |
| 343 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 121.3 | 174.6 | -63.4 | -64.2 | 0 | 0 | 0 | 109.6 | L262 L289 L341 H345 F394 L397 V401 I410 Y411 V412 T413 | L262-I343 WeakPolarHBondContact O-CA 3.36Å; L289-I343 HydrophobicContact CD1-CD1 3.93Å; L341-I343 HydrophobicContact CD1-CD1 4.48Å; L341-I343 HydrophobicContact CD2-CD1 3.75Å; L341-I343 HydrophobicContact CD2-CG1 4.41Å; L341-I343 HydrophobicContact CG-CD1 3.81Å; L341-I343 HydrophobicContact CG-CG1 4.23Å; I343-H345 HydrophobicContact CG2-CB 4.41Å; I343-F394 HydrophobicContact CG2-CE2 4.36Å; I343-L397 HydrophobicContact CG2-CD2 4.07Å; I343-V401 HydrophobicContact CD1-CG2 4.17Å; I343-I410 HydrophobicContact CB-CG2 4.34Å; I343-I410 HydrophobicContact CG1-CG2 3.93Å; I343-Y411 PolarHBondContact N-O 3.45Å; I343-V412 CarbonylContact O-C 3.55Å; I343-V412 WeakPolarHBondContact O-CA 3.44Å; I343-T413 PolarHBondContact N-OG1 3.04Å; I343-T413 PolarHBondContact O-N 2.86Å; I343-T413 PolarHBondContact O-OG1 3.33Å |
| 344 | G | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 129.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | L262 S263 G264 E414 | L262-G344 PolarHBondContact O-N 3.46Å; S263-G344 CarbonylContact C-O 3.5Å; S263-G344 VanDerWaalsContact CA-O 3.28Å; S263-G344 WeakPolarHBondContact CA-O 3.49Å; G264-G344 PolarHBondContact N-O 3.18Å; G344-E414 VanDerWaalsContact CA-O 3.25Å; G344-E414 WeakPolarHBondContact CA-O 3.23Å |
| 345 | H | 98.3 | Very high | 97 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | trans | -148 | 134.1 | 176.2 | -179.6 | 77.4 | 0 | 0 | 0 | 110.7 | G264 I343 T347 F394 L397 E414 N415 Y438 | G264-H345 PolarHBondContact O-ND1 2.63Å; I343-H345 HydrophobicContact CG2-CB 4.41Å; H345-T347 PolarHBondContact CE1-O 3.01Å; H345-F394 HydrophobicContact CB-CD2 3.59Å; H345-F394 HydrophobicContact CB-CE2 3.71Å; H345-F394 HydrophobicContact CB-CG 4.48Å; H345-F394 WeakPolarHBondContact CD2-CB 3.49Å; H345-F394 AromaticContact CD2-CD2 3.39Å; H345-F394 WeakPolarHBondContact CD2-CD2 3.36Å; H345-F394 AromaticContact CD2-CG 3.54Å; H345-F394 AromaticContact CG-CD2 3.59Å; H345-F394 WeakPolarHBondContact NE2-CA 3.32Å; H345-F394 PolarHBondContact NE2-N 3.48Å; H345-L397 HydrophobicContact CB-CD2 4.07Å; H345-E414 PolarHBondContact N-O 3Å; H345-N415 PolarHBondContact O-ND2 3.49Å; H345-Y438 AromaticContact CD2-CE1 3.61Å; H345-Y438 AromaticContact NE2-CE1 3.89Å | ||
| 346 | F | 96.8 | Very high | 96.1 | Very high | 14 Ų | 14 | 26.5 Ų | 26.5 | 6% | 0.061 | 14% | 0.138 | C | C | . | . | trans | -131.6 | -36.8 | -173.9 | -69.2 | -92.3 | 0 | 0 | 0 | 112.5 | W386 L387 E414 G416 Y434 Y438 W458 F474 | F346-W386 HydrophobicContact CB-CH2 3.92Å; F346-W386 HydrophobicContact CB-CZ3 3.7Å; F346-W386 HydrophobicContact CD1-CH2 4.13Å; F346-W386 HydrophobicContact CD2-CH2 4.38Å; F346-W386 AromaticContact CG-CH2 3.9Å; F346-W386 HydrophobicContact CG-CH2 3.9Å; F346-W386 HydrophobicContact CG-CZ3 4.15Å; F346-L387 HydrophobicContact CB-CD1 4.5Å; F346-L387 HydrophobicContact CB-CG 4.43Å; F346-L387 HydrophobicContact CD1-CD1 4.35Å; F346-E414 HydrophobicContact CE2-CB 3.89Å; F346-E414 HydrophobicContact CZ-CB 3.76Å; F346-G416 WeakPolarHBondContact CD1-O 3.44Å; F346-Y434 PolarHBondContact O-OH 3.25Å; F346-Y438 PolarHBondContact O-OH 2.96Å; F346-W458 HydrophobicContact CE1-CB 4.2Å; F346-W458 HydrophobicContact CE1-CG 4.48Å; F346-W458 HydrophobicContact CZ-CB 4.09Å; F346-W458 HydrophobicContact CZ-CG 4.2Å; F346-F474 HydrophobicContact CD1-CE1 4.27Å; F346-F474 HydrophobicContact CE1-CE1 4.03Å | ||
| 347 | T | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -150.5 | 175.9 | -171.3 | -161.8 | 0 | 0 | 0 | 0 | 113.5 | D265 W266 H345 R349 Y388 | D265-T347 WeakPolarHBondContact OD1-CG2 3.43Å; D265-T347 WeakPolarHBondContact OD2-CG2 3.41Å; W266-T347 PolarHBondContact N-O 2.99Å; H345-T347 PolarHBondContact CE1-O 3.01Å; T347-R349 VanDerWaalsContact CG2-NH1 3.27Å; T347-R349 PolarHBondContact OG1-NH1 2.96Å; T347-Y388 WeakPolarHBondContact CB-O 3.36Å; T347-Y388 PolarHBondContact OG1-N 2.96Å; T347-Y388 PolarHBondContact OG1-O 3.09Å | ||
| 348 | T | 96.5 | Very high | 93 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 153.7 | 178.5 | -62.1 | 0 | 0 | 0 | 0 | 109.4 | W266 E268 W379 V390 W392 G393 | W266-T348 HydrophobicContact CB-CG2 4.13Å; W266-T348 HydrophobicContact CG-CG2 4.33Å; W266-T348 CarbonylContact O-C 3.58Å; W266-T348 VanDerWaalsContact O-CA 3.27Å; W266-T348 WeakPolarHBondContact O-CA 3.2Å; W266-T348 WeakPolarHBondContact O-CG2 3.34Å; E268-T348 HydrophobicContact CB-CG2 4.38Å; T348-W379 HydrophobicContact CG2-CH2 4.32Å; T348-W379 VanDerWaalsContact O-CZ3 3.28Å; T348-W379 WeakPolarHBondContact O-CZ3 3.42Å; T348-V390 HydrophobicContact CG2-CG1 3.99Å; T348-V390 PolarHBondContact OG1-O 3.06Å; T348-W392 HydrophobicContact CG2-CH2 3.81Å; T348-W392 HydrophobicContact CG2-CZ2 4.41Å; T348-W392 HydrophobicContact CG2-CZ3 4.18Å; T348-G393 WeakPolarHBondContact OG1-CA 3.45Å |
| 349 | R | 96.5 | Very high | 91.2 | Very high | 22 Ų | 22 | 33.4 Ų | 33.4 | 8% | 0.083 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 146.9 | 172.9 | -68.9 | -63.4 | -178.4 | -81.7 | -4.8 | 111 | W266 G267 E268 T347 I351 E373 W386 | W266-R349 PolarHBondContact O-N 3.07Å; G267-R349 CarbonylContact C-O 3.58Å; G267-R349 WeakPolarHBondContact CA-O 3.48Å; E268-R349 PolarHBondContact N-O 2.61Å; T347-R349 VanDerWaalsContact CG2-NH1 3.27Å; T347-R349 PolarHBondContact OG1-NH1 2.96Å; R349-I351 HydrophobicContact CB-CD1 3.85Å; R349-E373 HydrophobicContact CG-CB 4.47Å; R349-W386 VanDerWaalsContact NH2-C 3.32Å; R349-W386 PolarHBondContact NH2-O 3.32Å |
| 350 | Y | 97.3 | Very high | 89 | Confident | 63 Ų | 63 | 42.8 Ų | 42.8 | 25% | 0.247 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 135.8 | 161.5 | -79.7 | -55.9 | 0 | 0 | 0 | 109.6 | E268 E373 L374 D376 W379 | E268-Y350 HydrophobicContact CB-CD1 3.88Å; E268-Y350 HydrophobicContact CB-CE1 4.03Å; E268-Y350 HydrophobicContact CG-CD1 4Å; E268-Y350 HydrophobicContact CG-CE1 3.72Å; E268-Y350 CarbonylContact O-C 3.57Å; E268-Y350 VanDerWaalsContact O-CA 3.23Å; E268-Y350 WeakPolarHBondContact O-CA 3.45Å; Y350-E373 CarbonylContact O-C 2.81Å; Y350-L374 PolarHBondContact N-O 3.02Å; Y350-L374 PolarHBondContact O-N 3.04Å; Y350-D376 HydrophobicContact CD2-CB 4.46Å; Y350-D376 HydrophobicContact CE2-CB 4.02Å; Y350-W379 AromaticContact CD2-CH2 3.61Å; Y350-W379 HydrophobicContact CD2-CH2 3.61Å; Y350-W379 AromaticContact CD2-CZ2 3.69Å; Y350-W379 HydrophobicContact CD2-CZ2 3.69Å; Y350-W379 HydrophobicContact CE1-CZ2 4.49Å; Y350-W379 AromaticContact CE2-CH2 3.77Å; Y350-W379 HydrophobicContact CE2-CH2 3.77Å; Y350-W379 AromaticContact CE2-CZ2 3.3Å; Y350-W379 HydrophobicContact CE2-CZ2 3.3Å; Y350-W379 HydrophobicContact CG-CH2 4.13Å; Y350-W379 HydrophobicContact CG-CZ2 4.43Å; Y350-W379 AromaticContact CZ-CZ2 3.74Å |
| 351 | I | 97.8 | Very high | 87 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 132.6 | -174.5 | -52 | -62.4 | 0 | 0 | 0 | 109.6 | E268 P269 V270 A280 A281 Y284 R349 L371 A372 E373 | E268-I351 PolarHBondContact O-N 2.68Å; P269-I351 WeakPolarHBondContact CA-O 3.49Å; V270-I351 PolarHBondContact N-O 2.7Å; A280-I351 HydrophobicContact CB-CG2 3.83Å; A281-I351 HydrophobicContact CB-CB 4.23Å; Y284-I351 HydrophobicContact CD1-CD1 4.03Å; Y284-I351 HydrophobicContact CD1-CG1 4.21Å; Y284-I351 HydrophobicContact CD2-CD1 3.68Å; Y284-I351 HydrophobicContact CE1-CD1 4.33Å; Y284-I351 HydrophobicContact CE2-CD1 4.04Å; Y284-I351 HydrophobicContact CG-CD1 3.66Å; Y284-I351 HydrophobicContact CG-CG1 4.01Å; R349-I351 HydrophobicContact CB-CD1 3.85Å; I351-L371 HydrophobicContact CG2-CB 4.07Å; I351-L371 HydrophobicContact CG2-CD1 4.45Å; I351-L371 HydrophobicContact CG2-CD2 4.19Å; I351-L371 HydrophobicContact CG2-CG 4.48Å; I351-A372 WeakPolarHBondContact CA-O 3.35Å; I351-E373 HydrophobicContact CD1-CB 4.34Å; I351-E373 HydrophobicContact CD1-CG 3.86Å |
| 352 | T | 97.4 | Very high | 85.4 | Confident | 36 Ų | 36 | 49.3 Ų | 49.3 | 22% | 0.221 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 151.4 | 169.6 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | V270 D277 R354 L371 A372 L374 | V270-T352 HydrophobicContact CG2-CG2 4.46Å; D277-T352 WeakPolarHBondContact OD1-CA 2.86Å; D277-T352 WeakPolarHBondContact OD1-CB 3.39Å; D277-T352 PolarHBondContact OD1-OG1 2.58Å; T352-R354 PolarHBondContact O-N 2.77Å; T352-L371 WeakPolarHBondContact O-CA 3.46Å; T352-A372 HydrophobicContact CG2-CB 3.96Å; T352-A372 PolarHBondContact N-O 3.19Å; T352-A372 VanDerWaalsContact N-O 3.17Å; T352-A372 PolarHBondContact O-N 2.69Å; T352-L374 HydrophobicContact CG2-CD1 4.14Å |
| 353 | H | 96 | Very high | 84.4 | Confident | 50 Ų | 50 | 50.8 Ų | 50.8 | 23% | 0.231 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 130.1 | 175.8 | 175.4 | 60.6 | 0 | 0 | 0 | 111.4 | K276 D277 A280 R283 N355 D370 | K276-H353 HydrophobicContact CB-CB 3.97Å; D277-H353 PolarHBondContact OD1-N 2.86Å; A280-H353 HydrophobicContact CB-CB 4.1Å; R283-H353 PolarHBondContact NH2-ND1 3.28Å; H353-N355 PolarHBondContact CE1-OD1 2.85Å; H353-N355 PolarHBondContact NE2-OD1 3.09Å; H353-D370 PolarHBondContact ND1-O 3.33Å |
| 354 | R | 92.9 | Very high | 84.1 | Confident | 121 Ų | 121 | 51.7 Ų | 51.7 | 46% | 0.457 | 27% | 0.27 | S | S | . | . | trans | -140.2 | 124.7 | 173.5 | -172.7 | -176.2 | 73.2 | -160.4 | -2.6 | 109.7 | T352 D356 D370 L371 A372 | T352-R354 PolarHBondContact O-N 2.77Å; R354-D356 IonicContact CZ-OD1 3.2Å; R354-D356 IonicContact NE-OD1 2.76Å; R354-D356 PolarHBondContact NE-OD1 3.48Å; R354-D356 IonicContact NH2-OD1 2.87Å; R354-D356 PolarHBondContact NH2-OD1 2.93Å; R354-D356 IonicContact NH2-OD2 3.25Å; R354-D356 PolarHBondContact NH2-OD2 3.19Å; R354-D356 PolarHBondContact O-N 3.49Å; R354-D370 PolarHBondContact N-O 3.34Å; R354-D370 CarbonylContact O-C 3.59Å; R354-D370 WeakPolarHBondContact O-CA 3.25Å; R354-D370 WeakPolarHBondContact O-CB 3.43Å; R354-D370 VanDerWaalsContact O-O 3.09Å; R354-L371 PolarHBondContact O-N 3.4Å; R354-A372 HydrophobicContact CB-CB 4.18Å | ||
| 355 | N | 86.3 | Confident | 83.9 | Confident | 118 Ų | 118 | 51.8 Ų | 51.8 | 63% | 0.631 | 27% | 0.271 | S | S | * | . | trans | -77.1 | 115.3 | 173.1 | -68.8 | -46.2 | 0 | 0 | 0 | 110 | H353 | H353-N355 PolarHBondContact CE1-OD1 2.85Å; H353-N355 PolarHBondContact NE2-OD1 3.09Å | ||
| 356 | D | 79.6 | Confident | 83.7 | Confident | 15 Ų | 15 | 55 Ų | 55 | 8% | 0.08 | 29% | 0.285 | C | S | . | . | trans | -85.7 | 138.8 | 176.9 | -78.8 | -21.8 | 0 | 0 | 0 | 111.3 | K312 R354 T367 D370 | K312-D356 PolarHBondContact NZ-O 3.46Å; R354-D356 IonicContact CZ-OD1 3.2Å; R354-D356 IonicContact NE-OD1 2.76Å; R354-D356 PolarHBondContact NE-OD1 3.48Å; R354-D356 IonicContact NH2-OD1 2.87Å; R354-D356 PolarHBondContact NH2-OD1 2.93Å; R354-D356 IonicContact NH2-OD2 3.25Å; R354-D356 PolarHBondContact NH2-OD2 3.19Å; R354-D356 PolarHBondContact O-N 3.49Å; D356-T367 HydrophobicContact CB-CG2 4.16Å; D356-T367 WeakPolarHBondContact OD2-CA 3.33Å; D356-D370 PolarHBondContact N-OD1 2.89Å | ||
| 357 | P | 70.3 | Confident | 83.5 | Confident | 101 Ų | 101 | 55.4 Ų | 55.4 | 66% | 0.656 | 29% | 0.288 | S | S | * | . | trans | -57.9 | 144.7 | -177.5 | -21.6 | 30.5 | 0 | 0 | 0 | 112.9 | S362 | P357-S362 WeakPolarHBondContact O-CB 3.24Å; P357-S362 PolarHBondContact O-OG 3.41Å | ||
| 358 | T | 61.3 | Low | 83.4 | Confident | 86 Ų | 86 | 55.4 Ų | 55.4 | 53% | 0.528 | 29% | 0.288 | S | S | . | . | trans | -96 | 98.8 | 177.1 | 55.3 | 0 | 0 | 0 | 0 | 110.4 | K312 Q315 | K312-T358 HydrophobicContact CD-CG2 4.42Å; Q315-T358 HydrophobicContact CB-CG2 4.13Å; Q315-T358 HydrophobicContact CG-CG2 4.5Å | ||
| 359 | G | 60 | Low | 83.3 | Confident | 28 Ų | 28 | 56 Ų | 56 | 29% | 0.289 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -146.9 | 155 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | S361 S362 N363 | G359-S361 PolarHBondContact O-N 2.79Å; G359-S361 VanDerWaalsContact O-N 3.09Å; G359-S362 PolarHBondContact N-OG 2.91Å; G359-S362 PolarHBondContact O-N 3.37Å; G359-S362 PolarHBondContact O-OG 3.43Å; G359-N363 PolarHBondContact O-OD1 2.91Å |
| 360 | R | 53 | Low | 83.2 | Confident | 240 Ų | 240 | 55.2 Ų | 55.2 | 91% | 0.906 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -56.4 | -28.9 | 179.6 | -97.4 | -177.8 | 176.1 | 178 | -1 | 113.7 | ||
| 361 | S | 56.3 | Low | 83.1 | Confident | 113 Ų | 113 | 52.4 Ų | 52.4 | 79% | 0.79 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -82 | -9.9 | 176.8 | 49.5 | 0 | 0 | 0 | 0 | 114.3 | G359 | G359-S361 PolarHBondContact O-N 2.79Å; G359-S361 VanDerWaalsContact O-N 3.09Å |
| 362 | S | 65 | Low | 83 | Confident | 27 Ų | 27 | 53 Ų | 53 | 19% | 0.189 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -107.9 | 10.6 | -179.6 | 65.2 | 0 | 0 | 0 | 0 | 113.7 | P357 G359 S364 T367 | P357-S362 WeakPolarHBondContact O-CB 3.24Å; P357-S362 PolarHBondContact O-OG 3.41Å; G359-S362 PolarHBondContact N-OG 2.91Å; G359-S362 PolarHBondContact O-N 3.37Å; G359-S362 PolarHBondContact O-OG 3.43Å; S362-S364 PolarHBondContact O-N 2.71Å; S362-T367 VanDerWaalsContact O-CB 3.29Å; S362-T367 WeakPolarHBondContact O-CB 3.48Å; S362-T367 WeakPolarHBondContact O-CG2 3.37Å; S362-T367 PolarHBondContact O-OG1 3.27Å |
| 363 | N | 78.9 | Confident | 82.9 | Confident | 32 Ų | 32 | 54.7 Ų | 54.7 | 17% | 0.171 | 29% | 0.288 | C | S | . | . | trans | -77.9 | 108.2 | 179.5 | -62.1 | -18.2 | 0 | 0 | 0 | 110.6 | R224 Q316 G359 | R224-N363 VanDerWaalsContact CB-O 3.26Å; R224-N363 WeakPolarHBondContact CB-O 3.44Å; Q316-N363 WeakPolarHBondContact CG-OD1 3.12Å; Q316-N363 PolarHBondContact NE2-OD1 3.1Å; G359-N363 PolarHBondContact O-OD1 2.91Å | ||
| 364 | S | 90.9 | Very high | 82.8 | Confident | 19 Ų | 19 | 56.1 Ų | 56.1 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -152.9 | 165.8 | 172.4 | 70.2 | 0 | 0 | 0 | 0 | 112 | E213 S362 F366 T367 D368 | E213-S364 WeakPolarHBondContact OE1-CA 3.13Å; E213-S364 WeakPolarHBondContact OE1-CB 3.36Å; S362-S364 PolarHBondContact O-N 2.71Å; S364-F366 PolarHBondContact O-N 2.98Å; S364-F366 PolarHBondContact OG-N 3.39Å; S364-T367 PolarHBondContact N-OG1 3.11Å; S364-T367 VanDerWaalsContact N-OG1 3.09Å; S364-T367 PolarHBondContact O-N 2.71Å; S364-T367 PolarHBondContact O-OG1 3.01Å; S364-T367 PolarHBondContact OG-N 2.74Å; S364-T367 PolarHBondContact OG-OG1 2.94Å; S364-D368 PolarHBondContact O-N 2.83Å; S364-D368 VanDerWaalsContact O-N 3.13Å |
| 365 | Y | 94.8 | Very high | 82.9 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -40.7 | 165.8 | 163.5 | -96.9 | 0 | 0 | 0 | 111.7 | W205 V209 E213 Y229 F287 W291 D368 | W205-Y365 AromaticContact CZ2-CE1 3.96Å; W205-Y365 HydrophobicContact CZ2-CE1 3.96Å; W205-Y365 AromaticContact NE1-CE1 3.68Å; W205-Y365 AromaticContact NE1-CZ 3.33Å; W205-Y365 VanDerWaalsContact NE1-CZ 3.33Å; W205-Y365 PolarHBondContact NE1-OH 3.23Å; V209-Y365 HydrophobicContact CG1-CD1 4.07Å; V209-Y365 HydrophobicContact CG1-CE1 4.48Å; V209-Y365 HydrophobicContact CG2-CD1 4.08Å; V209-Y365 HydrophobicContact CG2-CD2 4.39Å; V209-Y365 HydrophobicContact CG2-CE1 4.22Å; V209-Y365 HydrophobicContact CG2-CE2 4.5Å; V209-Y365 HydrophobicContact CG2-CG 4.18Å; E213-Y365 PolarHBondContact OE1-N 3.4Å; Y229-Y365 HydrophobicContact CE1-CD2 4.11Å; F287-Y365 HydrophobicContact CB-CE2 4.31Å; F287-Y365 HydrophobicContact CD1-CD2 4.39Å; F287-Y365 AromaticContact CD1-CE2 3.9Å; F287-Y365 HydrophobicContact CD1-CE2 3.9Å; F287-Y365 PolarHBondContact O-OH 3.3Å; W291-Y365 AromaticContact CE3-CE2 3.87Å; W291-Y365 HydrophobicContact CE3-CE2 3.87Å; W291-Y365 HydrophobicContact CH2-CD2 4.28Å; W291-Y365 HydrophobicContact CH2-CE2 4.41Å; W291-Y365 AromaticContact CZ3-CD2 3.86Å; W291-Y365 HydrophobicContact CZ3-CD2 3.86Å; W291-Y365 AromaticContact CZ3-CE2 3.57Å; W291-Y365 HydrophobicContact CZ3-CE2 3.57Å; Y365-D368 PolarHBondContact O-N 3.16Å |
| 366 | F | 94.1 | Very high | 83.1 | Confident | 68 Ų | 68 | 48 Ų | 48 | 30% | 0.298 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -41.1 | -175.4 | -61.8 | -87.8 | 0 | 0 | 0 | 112.7 | V209 E213 T214 S364 R369 | V209-F366 HydrophobicContact CG1-CE2 3.84Å; V209-F366 HydrophobicContact CG1-CZ 3.62Å; E213-F366 HydrophobicContact CG-CE2 4.48Å; T214-F366 HydrophobicContact CG2-CE2 3.55Å; T214-F366 HydrophobicContact CG2-CZ 4.02Å; S364-F366 PolarHBondContact O-N 2.98Å; S364-F366 PolarHBondContact OG-N 3.39Å; F366-R369 VanDerWaalsContact CD1-NH2 3.34Å; F366-R369 PolarHBondContact O-N 3.11Å; F366-R369 PolarHBondContact O-NE 2.95Å |
| 367 | T | 92.6 | Very high | 83.4 | Confident | 23 Ų | 23 | 53.4 Ų | 53.4 | 14% | 0.141 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -79.4 | -19.1 | -180 | 57.9 | 0 | 0 | 0 | 0 | 113.6 | K312 D356 S362 S364 R369 D370 | K312-T367 WeakPolarHBondContact CE-O 3.48Å; D356-T367 HydrophobicContact CB-CG2 4.16Å; D356-T367 WeakPolarHBondContact OD2-CA 3.33Å; S362-T367 VanDerWaalsContact O-CB 3.29Å; S362-T367 WeakPolarHBondContact O-CB 3.48Å; S362-T367 WeakPolarHBondContact O-CG2 3.37Å; S362-T367 PolarHBondContact O-OG1 3.27Å; S364-T367 PolarHBondContact N-OG1 3.11Å; S364-T367 VanDerWaalsContact N-OG1 3.09Å; S364-T367 PolarHBondContact O-N 2.71Å; S364-T367 PolarHBondContact O-OG1 3.01Å; S364-T367 PolarHBondContact OG-N 2.74Å; S364-T367 PolarHBondContact OG-OG1 2.94Å; T367-R369 PolarHBondContact O-N 2.68Å; T367-D370 PolarHBondContact O-N 3.32Å |
| 368 | D | 94.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -65.8 | -19 | 172.4 | -72.9 | -25.7 | 0 | 0 | 0 | 112.5 | Y229 F287 F308 V309 K312 R322 S364 Y365 | Y229-D368 WeakPolarHBondContact CE2-OD2 3.47Å; Y229-D368 WeakPolarHBondContact OH-CB 3.4Å; Y229-D368 PolarHBondContact OH-OD2 3.48Å; F287-D368 HydrophobicContact CE1-CB 4.14Å; F308-D368 WeakPolarHBondContact CB-O 3.43Å; V309-D368 HydrophobicContact CG2-CB 4.1Å; K312-D368 WeakPolarHBondContact CB-OD1 3.13Å; R322-D368 IonicContact CZ-OD1 3.58Å; R322-D368 IonicContact CZ-OD2 3.39Å; R322-D368 IonicContact NH1-OD1 3.6Å; R322-D368 IonicContact NH1-OD2 2.74Å; R322-D368 PolarHBondContact NH1-OD2 3.02Å; R322-D368 VanDerWaalsContact NH2-CG 3.33Å; R322-D368 IonicContact NH2-OD1 2.66Å; R322-D368 PolarHBondContact NH2-OD1 3.15Å; R322-D368 IonicContact NH2-OD2 3.21Å; R322-D368 PolarHBondContact NH2-OD2 3.4Å; S364-D368 PolarHBondContact O-N 2.83Å; S364-D368 VanDerWaalsContact O-N 3.13Å; Y365-D368 PolarHBondContact O-N 3.16Å |
| 369 | R | 94.2 | Very high | 85.7 | Confident | 12 Ų | 12 | 55.6 Ų | 55.6 | 5% | 0.045 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -84.7 | -14.4 | -178 | -60.4 | 177.2 | -56.6 | 160.8 | 14.7 | 113.9 | R283 F287 F366 T367 L371 E373 | R283-R369 PolarHBondContact NE-O 2.88Å; R283-R369 PolarHBondContact NH2-O 2.95Å; F287-R369 HydrophobicContact CB-CG 3.96Å; F287-R369 HydrophobicContact CD1-CG 3.39Å; F287-R369 HydrophobicContact CD2-CG 4.26Å; F287-R369 HydrophobicContact CE1-CG 3.79Å; F287-R369 HydrophobicContact CG-CG 3.63Å; F287-R369 HydrophobicContact CZ-CG 4.37Å; F366-R369 VanDerWaalsContact CD1-NH2 3.34Å; F366-R369 PolarHBondContact O-N 3.11Å; F366-R369 PolarHBondContact O-NE 2.95Å; T367-R369 PolarHBondContact O-N 2.68Å; R369-L371 VanDerWaalsContact C-N 3.3Å; R369-L371 HydrophobicContact CB-CD2 3.75Å; R369-L371 HydrophobicContact CB-CG 3.75Å; R369-L371 PolarHBondContact O-N 3.26Å; R369-E373 IonicContact CZ-OE1 3.82Å; R369-E373 VanDerWaalsContact CZ-OE1 3.26Å; R369-E373 IonicContact NH1-OE1 2.9Å; R369-E373 PolarHBondContact NH1-OE1 3.33Å; R369-E373 IonicContact NH2-OE1 3.24Å; R369-E373 PolarHBondContact NH2-OE1 2.95Å |
| 370 | D | 94.2 | Very high | 86.9 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 4% | 0.037 | 30% | 0.298 | C | S | . | . | trans | 39.5 | 57.5 | -177.7 | -75.7 | -36.1 | 0 | 0 | 0 | 112.9 | R283 F308 K312 H353 R354 D356 T367 | R283-D370 PolarHBondContact NH2-O 3.41Å; F308-D370 HydrophobicContact CD1-CB 4.24Å; F308-D370 HydrophobicContact CE1-CB 3.91Å; K312-D370 VanDerWaalsContact CE-OD1 3.29Å; K312-D370 WeakPolarHBondContact CE-OD1 3.28Å; K312-D370 WeakPolarHBondContact CE-OD2 3.49Å; K312-D370 IonicContact NZ-OD1 2.71Å; K312-D370 PolarHBondContact NZ-OD1 3.31Å; K312-D370 IonicContact NZ-OD2 3.39Å; K312-D370 PolarHBondContact NZ-OD2 2.76Å; H353-D370 PolarHBondContact ND1-O 3.33Å; R354-D370 PolarHBondContact N-O 3.34Å; R354-D370 CarbonylContact O-C 3.59Å; R354-D370 WeakPolarHBondContact O-CA 3.25Å; R354-D370 WeakPolarHBondContact O-CB 3.43Å; R354-D370 VanDerWaalsContact O-O 3.09Å; D356-D370 PolarHBondContact N-OD1 2.89Å; T367-D370 PolarHBondContact O-N 3.32Å | ||
| 371 | L | 95.3 | Very high | 88.4 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 159.9 | 179.1 | 62.6 | 81.2 | 0 | 0 | 0 | 111.3 | A280 Y284 I351 T352 R354 R369 E373 | A280-L371 HydrophobicContact CB-CB 4.37Å; Y284-L371 HydrophobicContact CD2-CD1 4.24Å; Y284-L371 HydrophobicContact CD2-CD2 4.24Å; I351-L371 HydrophobicContact CG2-CB 4.07Å; I351-L371 HydrophobicContact CG2-CD1 4.45Å; I351-L371 HydrophobicContact CG2-CD2 4.19Å; I351-L371 HydrophobicContact CG2-CG 4.48Å; T352-L371 WeakPolarHBondContact O-CA 3.46Å; R354-L371 PolarHBondContact O-N 3.4Å; R369-L371 VanDerWaalsContact C-N 3.3Å; R369-L371 HydrophobicContact CB-CD2 3.75Å; R369-L371 HydrophobicContact CB-CG 3.75Å; R369-L371 PolarHBondContact O-N 3.26Å; L371-E373 HydrophobicContact CD1-CG 3.65Å |
| 372 | A | 95.4 | Very high | 89.4 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 12% | 0.116 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 139 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | I351 T352 R354 | I351-A372 WeakPolarHBondContact CA-O 3.35Å; T352-A372 HydrophobicContact CG2-CB 3.96Å; T352-A372 PolarHBondContact N-O 3.19Å; T352-A372 VanDerWaalsContact N-O 3.17Å; T352-A372 PolarHBondContact O-N 2.69Å; R354-A372 HydrophobicContact CB-CB 4.18Å |
| 373 | E | 95.4 | Very high | 89.8 | Confident | 70 Ų | 70 | 47.1 Ų | 47.1 | 33% | 0.327 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 130.4 | 174 | -57.2 | 179.4 | -136.4 | 0 | 0 | 108 | Y284 R349 Y350 I351 R369 L371 | Y284-E373 HydrophobicContact CD2-CG 4.32Å; Y284-E373 HydrophobicContact CE2-CG 3.99Å; Y284-E373 VanDerWaalsContact CE2-OE2 3.3Å; Y284-E373 WeakPolarHBondContact CE2-OE2 3.05Å; Y284-E373 PolarHBondContact OH-OE2 3.22Å; R349-E373 HydrophobicContact CG-CB 4.47Å; Y350-E373 CarbonylContact O-C 2.81Å; I351-E373 HydrophobicContact CD1-CB 4.34Å; I351-E373 HydrophobicContact CD1-CG 3.86Å; R369-E373 IonicContact CZ-OE1 3.82Å; R369-E373 VanDerWaalsContact CZ-OE1 3.26Å; R369-E373 IonicContact NH1-OE1 2.9Å; R369-E373 PolarHBondContact NH1-OE1 3.33Å; R369-E373 IonicContact NH2-OE1 3.24Å; R369-E373 PolarHBondContact NH2-OE1 2.95Å; L371-E373 HydrophobicContact CD1-CG 3.65Å |
| 374 | L | 94.9 | Very high | 89.8 | Confident | 81 Ų | 81 | 45.6 Ų | 45.6 | 42% | 0.424 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 155.6 | -177.7 | -58.3 | 175.8 | 0 | 0 | 0 | 109.6 | V270 Y350 T352 | V270-L374 HydrophobicContact CG2-CD1 3.86Å; Y350-L374 PolarHBondContact N-O 3.02Å; Y350-L374 PolarHBondContact O-N 3.04Å; T352-L374 HydrophobicContact CG2-CD1 4.14Å |
| 375 | V | 93.2 | Very high | 89.4 | Confident | 48 Ų | 48 | 52.5 Ų | 52.5 | 29% | 0.291 | 27% | 0.274 | S | S | . | . | trans | -125 | 140.3 | 178 | 175.2 | 0 | 0 | 0 | 0 | 107.7 | P377 W379 Y388 | V375-P377 WeakPolarHBondContact O-CD 3.26Å; V375-W379 HydrophobicContact CG1-CE3 3.84Å; V375-W379 HydrophobicContact CG1-CZ3 4.34Å; V375-Y388 HydrophobicContact CB-CE2 4.22Å; V375-Y388 HydrophobicContact CG1-CD1 3.7Å; V375-Y388 HydrophobicContact CG1-CD2 3.76Å; V375-Y388 HydrophobicContact CG1-CE1 3.59Å; V375-Y388 HydrophobicContact CG1-CE2 3.66Å; V375-Y388 HydrophobicContact CG1-CG 3.79Å; V375-Y388 HydrophobicContact CG2-CD2 3.89Å; V375-Y388 HydrophobicContact CG2-CE2 3.59Å | ||
| 376 | D | 90.4 | Very high | 89 | Confident | 20 Ų | 20 | 57.6 Ų | 57.6 | 11% | 0.107 | 29% | 0.294 | C | S | . | . | trans | -75.5 | 120.2 | 167.4 | -165.1 | -40.3 | 0 | 0 | 0 | 109.1 | Y350 R378 W379 | Y350-D376 HydrophobicContact CD2-CB 4.46Å; Y350-D376 HydrophobicContact CE2-CB 4.02Å; D376-R378 PolarHBondContact O-N 3.39Å; D376-R378 VanDerWaalsContact OD1-CB 3.26Å; D376-R378 WeakPolarHBondContact OD1-CB 3.5Å; D376-R378 WeakPolarHBondContact OD1-CG 3.43Å; D376-R378 IonicContact OD1-CZ 2.81Å; D376-R378 PolarHBondContact OD1-N 3.33Å; D376-R378 IonicContact OD1-NE 3.79Å; D376-R378 PolarHBondContact OD1-NE 2.97Å; D376-R378 IonicContact OD1-NH2 2.97Å; D376-R378 IonicContact OD2-CZ 3.38Å; D376-R378 IonicContact OD2-NE 3.36Å; D376-R378 PolarHBondContact OD2-NE 3.46Å; D376-R378 IonicContact OD2-NH2 3.68Å; D376-R378 PolarHBondContact OD2-NH2 3.02Å; D376-W379 HydrophobicContact CB-CD2 3.62Å; D376-W379 VanDerWaalsContact CB-CE2 3.49Å; D376-W379 HydrophobicContact CB-CE3 4.29Å; D376-W379 HydrophobicContact CB-CG 3.76Å; D376-W379 HydrophobicContact CB-CZ2 4.06Å; D376-W379 WeakPolarHBondContact O-CB 3.47Å; D376-W379 PolarHBondContact O-N 3.34Å | ||
| 377 | P | 87.9 | Confident | 88.8 | Confident | 129 Ų | 129 | 54.3 Ų | 54.3 | 84% | 0.838 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -11.8 | 178.3 | -24.3 | 34.7 | 0 | 0 | 0 | 114.5 | V375 | V375-P377 WeakPolarHBondContact O-CD 3.26Š|
| 378 | R | 88.8 | Confident | 88.7 | Confident | 205 Ų | 205 | 55.4 Ų | 55.4 | 77% | 0.774 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -11.2 | 176.5 | -57.3 | 171.5 | -66.3 | 176 | 1.6 | 113.2 | D376 | D376-R378 PolarHBondContact O-N 3.39Å; D376-R378 VanDerWaalsContact OD1-CB 3.26Å; D376-R378 WeakPolarHBondContact OD1-CB 3.5Å; D376-R378 WeakPolarHBondContact OD1-CG 3.43Å; D376-R378 IonicContact OD1-CZ 2.81Å; D376-R378 PolarHBondContact OD1-N 3.33Å; D376-R378 IonicContact OD1-NE 3.79Å; D376-R378 PolarHBondContact OD1-NE 2.97Å; D376-R378 IonicContact OD1-NH2 2.97Å; D376-R378 IonicContact OD2-CZ 3.38Å; D376-R378 IonicContact OD2-NE 3.36Å; D376-R378 PolarHBondContact OD2-NE 3.46Å; D376-R378 IonicContact OD2-NH2 3.68Å; D376-R378 PolarHBondContact OD2-NH2 3.02Å |
| 379 | W | 90.1 | Very high | 88.7 | Confident | 28 Ų | 28 | 56.3 Ų | 56.3 | 11% | 0.106 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -66.8 | 139.1 | 177.3 | -69.8 | -14.5 | 0 | 0 | 0 | 110.3 | T348 Y350 V375 D376 D381 Y388 V390 W392 | T348-W379 HydrophobicContact CG2-CH2 4.32Å; T348-W379 VanDerWaalsContact O-CZ3 3.28Å; T348-W379 WeakPolarHBondContact O-CZ3 3.42Å; Y350-W379 AromaticContact CD2-CH2 3.61Å; Y350-W379 HydrophobicContact CD2-CH2 3.61Å; Y350-W379 AromaticContact CD2-CZ2 3.69Å; Y350-W379 HydrophobicContact CD2-CZ2 3.69Å; Y350-W379 HydrophobicContact CE1-CZ2 4.49Å; Y350-W379 AromaticContact CE2-CH2 3.77Å; Y350-W379 HydrophobicContact CE2-CH2 3.77Å; Y350-W379 AromaticContact CE2-CZ2 3.3Å; Y350-W379 HydrophobicContact CE2-CZ2 3.3Å; Y350-W379 HydrophobicContact CG-CH2 4.13Å; Y350-W379 HydrophobicContact CG-CZ2 4.43Å; Y350-W379 AromaticContact CZ-CZ2 3.74Å; V375-W379 HydrophobicContact CG1-CE3 3.84Å; V375-W379 HydrophobicContact CG1-CZ3 4.34Å; D376-W379 HydrophobicContact CB-CD2 3.62Å; D376-W379 VanDerWaalsContact CB-CE2 3.49Å; D376-W379 HydrophobicContact CB-CE3 4.29Å; D376-W379 HydrophobicContact CB-CG 3.76Å; D376-W379 HydrophobicContact CB-CZ2 4.06Å; D376-W379 WeakPolarHBondContact O-CB 3.47Å; D376-W379 PolarHBondContact O-N 3.34Å; W379-D381 PolarHBondContact O-N 3.15Å; W379-D381 VanDerWaalsContact O-N 3.14Å; W379-Y388 HydrophobicContact CB-CD1 4.31Å; W379-V390 HydrophobicContact CB-CG2 4.35Å; W379-V390 HydrophobicContact CD2-CG2 3.45Å; W379-V390 VanDerWaalsContact CD2-CG2 3.45Å; W379-V390 HydrophobicContact CE3-CG2 3.45Å; W379-V390 VanDerWaalsContact CE3-CG2 3.45Å; W379-V390 HydrophobicContact CG-CG2 3.87Å; W379-V390 HydrophobicContact CH2-CG2 4.36Å; W379-V390 HydrophobicContact CZ2-CG1 4.2Å; W379-V390 HydrophobicContact CZ2-CG2 4.35Å; W379-V390 HydrophobicContact CZ3-CG2 3.93Å; W379-W392 HydrophobicContact CZ2-CZ2 4.1Å |
| 380 | P | 86 | Confident | 88.7 | Confident | 83 Ų | 83 | 55.8 Ų | 55.8 | 54% | 0.539 | 29% | 0.286 | S | S | . | . | trans | -59.7 | 120.8 | 177.7 | -20.2 | 30.1 | 0 | 0 | 0 | 111 | S389 | P380-S389 PolarHBondContact O-N 3.41Š| ||
| 381 | D | 84.3 | Confident | 88.8 | Confident | 96 Ų | 96 | 56.4 Ų | 56.4 | 51% | 0.513 | 29% | 0.29 | S | S | . | . | trans | -98 | 111.2 | 176.6 | -177.2 | -7.3 | 0 | 0 | 0 | 109.1 | W379 G383 Y388 | W379-D381 PolarHBondContact O-N 3.15Å; W379-D381 VanDerWaalsContact O-N 3.14Å; D381-G383 VanDerWaalsContact C-N 3.28Å; D381-G383 WeakPolarHBondContact OD1-CA 3.4Å; D381-G383 PolarHBondContact OD1-N 2.97Å; D381-Y388 HydrophobicContact CB-CD1 4.21Å; D381-Y388 HydrophobicContact CB-CE1 3.97Å | ||
| 382 | P | 77.6 | Confident | 88.8 | Confident | 26 Ų | 26 | 58 Ų | 58 | 17% | 0.169 | 30% | 0.296 | C | S | . | . | trans | -81.7 | -2 | 176.7 | 31.9 | -26.9 | 0 | 0 | 0 | 113.8 | L387 V417 W430 | P382-L387 WeakPolarHBondContact CD-O 3.34Å; P382-L387 HydrophobicContact CG-CB 4.44Å; P382-L387 HydrophobicContact CG-CD2 3.78Å; P382-V417 HydrophobicContact CB-CG2 3.46Å; P382-V417 VanDerWaalsContact CB-CG2 3.46Å; P382-V417 HydrophobicContact CG-CG2 3.52Å; P382-W430 HydrophobicContact CB-CZ3 4.27Å | ||
| 383 | G | 71.9 | Confident | 88.9 | Confident | 24 Ų | 24 | 57.3 Ų | 57.3 | 25% | 0.247 | 29% | 0.29 | C | S | . | . | S | Bend | trans | 110 | -12.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | D381 K420 | D381-G383 VanDerWaalsContact C-N 3.28Å; D381-G383 WeakPolarHBondContact OD1-CA 3.4Å; D381-G383 PolarHBondContact OD1-N 2.97Å; G383-K420 WeakPolarHBondContact O-CD 3.43Å |
| 384 | S | 79.8 | Confident | 89 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -84.4 | 127.5 | 171.7 | -67.5 | 0 | 0 | 0 | 0 | 110.4 | W386 L387 S418 E472 | S384-W386 PolarHBondContact O-N 2.83Å; S384-L387 PolarHBondContact O-N 3.44Å; S384-S418 WeakPolarHBondContact CB-OG 3.3Å; S384-S418 VanDerWaalsContact OG-CB 3.31Å; S384-S418 WeakPolarHBondContact OG-CB 3.39Å; S384-S418 PolarHBondContact OG-OG 3.41Å; S384-E472 WeakPolarHBondContact CA-OE1 3.07Å; S384-E472 VanDerWaalsContact CB-OE1 3.24Å; S384-E472 WeakPolarHBondContact CB-OE1 3.29Å; S384-E472 PolarHBondContact OG-OE1 3.46Å; S384-E472 PolarHBondContact OG-OE2 2.7Å | ||
| 385 | E | 81.9 | Confident | 89.1 | Confident | 165 Ų | 165 | 52.3 Ų | 52.3 | 77% | 0.771 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -28.8 | -172.9 | -63.5 | -170.7 | 172.7 | 0 | 0 | 113.3 | ||
| 386 | W | 87.2 | Confident | 89.3 | Confident | 107 Ų | 107 | 50.8 Ų | 50.8 | 41% | 0.405 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -6.7 | -178.7 | 70.6 | -91.9 | 0 | 0 | 0 | 114.2 | F346 R349 S384 F474 | F346-W386 HydrophobicContact CB-CH2 3.92Å; F346-W386 HydrophobicContact CB-CZ3 3.7Å; F346-W386 HydrophobicContact CD1-CH2 4.13Å; F346-W386 HydrophobicContact CD2-CH2 4.38Å; F346-W386 AromaticContact CG-CH2 3.9Å; F346-W386 HydrophobicContact CG-CH2 3.9Å; F346-W386 HydrophobicContact CG-CZ3 4.15Å; R349-W386 VanDerWaalsContact NH2-C 3.32Å; R349-W386 PolarHBondContact NH2-O 3.32Å; S384-W386 PolarHBondContact O-N 2.83Å; W386-F474 HydrophobicContact CH2-CZ 4.48Å; W386-F474 AromaticContact CZ2-CZ 3.92Å; W386-F474 HydrophobicContact CZ2-CZ 3.92Å |
| 387 | L | 89.4 | Confident | 89.7 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -118.1 | 121.5 | -170.7 | -160 | 173.9 | 0 | 0 | 0 | 111.1 | F346 P382 S384 V417 Y434 F474 | F346-L387 HydrophobicContact CB-CD1 4.5Å; F346-L387 HydrophobicContact CB-CG 4.43Å; F346-L387 HydrophobicContact CD1-CD1 4.35Å; P382-L387 WeakPolarHBondContact CD-O 3.34Å; P382-L387 HydrophobicContact CG-CB 4.44Å; P382-L387 HydrophobicContact CG-CD2 3.78Å; S384-L387 PolarHBondContact O-N 3.44Å; L387-V417 HydrophobicContact CD1-CG2 4.24Å; L387-V417 HydrophobicContact CD2-CG2 4.07Å; L387-Y434 HydrophobicContact CD2-CE2 4.34Å; L387-F474 HydrophobicContact CD1-CE1 3.96Å; L387-F474 HydrophobicContact CD1-CZ 3.99Å | ||
| 388 | Y | 91.6 | Very high | 90.2 | Very high | 45 Ų | 45 | 43.7 Ų | 43.7 | 18% | 0.176 | 21% | 0.207 | C | C | . | . | trans | -122.6 | 141.1 | 168.2 | -64.1 | -88.8 | 0 | 0 | 0 | 110.6 | T347 V375 W379 D381 V390 | T347-Y388 WeakPolarHBondContact CB-O 3.36Å; T347-Y388 PolarHBondContact OG1-N 2.96Å; T347-Y388 PolarHBondContact OG1-O 3.09Å; V375-Y388 HydrophobicContact CB-CE2 4.22Å; V375-Y388 HydrophobicContact CG1-CD1 3.7Å; V375-Y388 HydrophobicContact CG1-CD2 3.76Å; V375-Y388 HydrophobicContact CG1-CE1 3.59Å; V375-Y388 HydrophobicContact CG1-CE2 3.66Å; V375-Y388 HydrophobicContact CG1-CG 3.79Å; V375-Y388 HydrophobicContact CG2-CD2 3.89Å; V375-Y388 HydrophobicContact CG2-CE2 3.59Å; W379-Y388 HydrophobicContact CB-CD1 4.31Å; D381-Y388 HydrophobicContact CB-CD1 4.21Å; D381-Y388 HydrophobicContact CB-CE1 3.97Å; Y388-V390 PolarHBondContact O-N 3.43Å | ||
| 389 | S | 92.8 | Very high | 90.7 | Very high | 19 Ų | 19 | 35.2 Ų | 35.2 | 13% | 0.133 | 18% | 0.177 | C | C | . | . | trans | -77.7 | 101.8 | 179.6 | -173.5 | 0 | 0 | 0 | 0 | 111.2 | P380 Y434 | P380-S389 PolarHBondContact O-N 3.41Å; S389-Y434 WeakPolarHBondContact OG-CD2 3.47Å | ||
| 390 | V | 95.4 | Very high | 91 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | trans | -134.9 | 70.8 | -176.5 | -165.8 | 0 | 0 | 0 | 0 | 109.9 | T348 W379 Y388 W392 G393 Y438 | T348-V390 HydrophobicContact CG2-CG1 3.99Å; T348-V390 PolarHBondContact OG1-O 3.06Å; W379-V390 HydrophobicContact CB-CG2 4.35Å; W379-V390 HydrophobicContact CD2-CG2 3.45Å; W379-V390 VanDerWaalsContact CD2-CG2 3.45Å; W379-V390 HydrophobicContact CE3-CG2 3.45Å; W379-V390 VanDerWaalsContact CE3-CG2 3.45Å; W379-V390 HydrophobicContact CG-CG2 3.87Å; W379-V390 HydrophobicContact CH2-CG2 4.36Å; W379-V390 HydrophobicContact CZ2-CG1 4.2Å; W379-V390 HydrophobicContact CZ2-CG2 4.35Å; W379-V390 HydrophobicContact CZ3-CG2 3.93Å; Y388-V390 PolarHBondContact O-N 3.43Å; V390-W392 VanDerWaalsContact C-N 3.32Å; V390-W392 HydrophobicContact CG1-CD2 4.02Å; V390-W392 HydrophobicContact CG1-CH2 4.1Å; V390-W392 HydrophobicContact CG1-CZ2 3.33Å; V390-W392 PolarHBondContact O-N 3.24Å; V390-G393 PolarHBondContact O-N 2.87Å; V390-Y438 PolarHBondContact N-OH 3.46Å | ||
| 391 | P | 95.8 | Very high | 91.6 | Very high | 21 Ų | 21 | 30 Ų | 30 | 14% | 0.136 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61 | -35.1 | -166.8 | 21.8 | -34.3 | 0 | 0 | 0 | 114.1 | G393 F394 D437 Y438 E441 | P391-G393 PolarHBondContact O-N 3.26Å; P391-F394 WeakPolarHBondContact O-CB 3.37Å; P391-F394 PolarHBondContact O-N 3.01Å; P391-D437 HydrophobicContact CB-CB 3.76Å; P391-D437 HydrophobicContact CG-CB 3.71Å; P391-Y438 VanDerWaalsContact CA-CE2 3.46Å; P391-Y438 HydrophobicContact CB-CD2 3.55Å; P391-Y438 HydrophobicContact CB-CE2 3.69Å; P391-Y438 HydrophobicContact CB-CG 4.06Å; P391-Y438 HydrophobicContact CG-CD2 4.49Å; P391-Y438 HydrophobicContact CG-CE2 4.36Å; P391-E441 HydrophobicContact CB-CG 3.92Å; P391-E441 WeakPolarHBondContact O-CB 3.33Å; P391-E441 WeakPolarHBondContact O-CG 3.31Å |
| 392 | W | 95.8 | Very high | 92.3 | Very high | 35 Ų | 35 | 28.2 Ų | 28.2 | 13% | 0.133 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.1 | -25.4 | -177.5 | 55 | -99.8 | 0 | 0 | 0 | 112.8 | H32 W266 E268 T348 W379 V390 F394 R395 R396 | H32-W392 AromaticContact CE1-CD1 3.82Å; H32-W392 AromaticContact CE1-CD2 3.51Å; H32-W392 AromaticContact CE1-CE2 3.69Å; H32-W392 AromaticContact CE1-CG 3.63Å; H32-W392 AromaticContact CE1-NE1 3.83Å; H32-W392 AromaticContact ND1-CD1 3.51Å; H32-W392 AromaticContact ND1-CD2 3.68Å; H32-W392 AromaticContact ND1-CG 3.27Å; H32-W392 VanDerWaalsContact ND1-CG 3.27Å; H32-W392 AromaticContact ND1-NE1 3.99Å; W266-W392 AromaticContact CD1-CZ3 3.98Å; E268-W392 HydrophobicContact CB-CH2 3.9Å; E268-W392 HydrophobicContact CB-CZ3 4.18Å; E268-W392 HydrophobicContact CG-CH2 3.83Å; E268-W392 HydrophobicContact CG-CZ3 4.04Å; T348-W392 HydrophobicContact CG2-CH2 3.81Å; T348-W392 HydrophobicContact CG2-CZ2 4.41Å; T348-W392 HydrophobicContact CG2-CZ3 4.18Å; W379-W392 HydrophobicContact CZ2-CZ2 4.1Å; V390-W392 VanDerWaalsContact C-N 3.32Å; V390-W392 HydrophobicContact CG1-CD2 4.02Å; V390-W392 HydrophobicContact CG1-CH2 4.1Å; V390-W392 HydrophobicContact CG1-CZ2 3.33Å; V390-W392 PolarHBondContact O-N 3.24Å; W392-F394 PolarHBondContact O-N 3Å; W392-R395 PolarHBondContact O-N 2.86Å; W392-R396 HydrophobicContact CE3-CG 4.23Å; W392-R396 WeakPolarHBondContact O-CG 3.35Å; W392-R396 PolarHBondContact O-N 3.32Å |
| 393 | G | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.9 | -26.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | W266 T348 V390 P391 R396 L397 | W266-G393 WeakPolarHBondContact CB-O 3.33Å; T348-G393 WeakPolarHBondContact OG1-CA 3.45Å; V390-G393 PolarHBondContact O-N 2.87Å; P391-G393 PolarHBondContact O-N 3.26Å; G393-R396 WeakPolarHBondContact O-CB 3.46Å; G393-R396 PolarHBondContact O-N 2.86Å; G393-L397 WeakPolarHBondContact O-CB 3.34Å; G393-L397 PolarHBondContact O-N 2.77Å |
| 394 | F | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.5 | -46 | 176 | -170.5 | -154.6 | 0 | 0 | 0 | 112 | I343 H345 P391 W392 R396 L397 L398 V412 Y438 M442 | I343-F394 HydrophobicContact CG2-CE2 4.36Å; H345-F394 HydrophobicContact CB-CD2 3.59Å; H345-F394 HydrophobicContact CB-CE2 3.71Å; H345-F394 HydrophobicContact CB-CG 4.48Å; H345-F394 WeakPolarHBondContact CD2-CB 3.49Å; H345-F394 AromaticContact CD2-CD2 3.39Å; H345-F394 WeakPolarHBondContact CD2-CD2 3.36Å; H345-F394 AromaticContact CD2-CG 3.54Å; H345-F394 AromaticContact CG-CD2 3.59Å; H345-F394 WeakPolarHBondContact NE2-CA 3.32Å; H345-F394 PolarHBondContact NE2-N 3.48Å; P391-F394 WeakPolarHBondContact O-CB 3.37Å; P391-F394 PolarHBondContact O-N 3.01Å; W392-F394 PolarHBondContact O-N 3Å; F394-R396 VanDerWaalsContact C-N 3.3Å; F394-R396 PolarHBondContact O-N 3.42Å; F394-L397 PolarHBondContact O-N 2.78Å; F394-L398 HydrophobicContact CD1-CD1 4.49Å; F394-L398 HydrophobicContact CD2-CD1 4.09Å; F394-L398 HydrophobicContact CD2-CG 4.07Å; F394-L398 HydrophobicContact CE1-CD1 4.31Å; F394-L398 HydrophobicContact CE2-CD1 3.86Å; F394-L398 HydrophobicContact CE2-CD2 4.16Å; F394-L398 HydrophobicContact CE2-CG 3.91Å; F394-L398 HydrophobicContact CG-CD1 4.4Å; F394-L398 HydrophobicContact CZ-CD1 4Å; F394-L398 HydrophobicContact CZ-CG 4.5Å; F394-L398 WeakPolarHBondContact O-CB 3.15Å; F394-L398 WeakPolarHBondContact O-CG 3.43Å; F394-L398 PolarHBondContact O-N 3.22Å; F394-V412 HydrophobicContact CE2-CG2 4.38Å; F394-V412 HydrophobicContact CZ-CB 4.33Å; F394-V412 HydrophobicContact CZ-CG1 3.76Å; F394-V412 HydrophobicContact CZ-CG2 3.6Å; F394-Y438 HydrophobicContact CB-CD1 3.95Å; F394-Y438 HydrophobicContact CB-CE1 4.21Å; F394-Y438 AromaticContact CD1-CD1 3.9Å; F394-Y438 HydrophobicContact CD1-CD1 3.9Å; F394-Y438 HydrophobicContact CG-CD1 4.13Å; F394-M442 HydrophobicContact CD1-CB 4.28Å; F394-M442 HydrophobicContact CE1-CB 3.83Å; F394-M442 HydrophobicContact CE1-CG 4.47Å |
| 395 | R | 97.8 | Very high | 95.2 | Very high | 46 Ų | 46 | 30.7 Ų | 30.7 | 17% | 0.174 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.8 | -38 | 174.8 | 178.3 | 177.9 | -178 | -157.1 | -1.3 | 111.7 | N31 W392 N399 E441 A445 D448 | N31-R395 PolarHBondContact O-NH1 2.97Å; W392-R395 PolarHBondContact O-N 2.86Å; R395-N399 PolarHBondContact O-N 3.32Å; R395-N399 PolarHBondContact O-ND2 2.9Å; R395-E441 HydrophobicContact CB-CB 4.03Å; R395-E441 WeakPolarHBondContact CB-OE2 3.36Å; R395-E441 WeakPolarHBondContact CD-OE2 3.04Å; R395-A445 HydrophobicContact CG-CB 4.04Å; R395-D448 IonicContact CZ-OD1 2.72Å; R395-D448 IonicContact CZ-OD2 3.24Å; R395-D448 VanDerWaalsContact CZ-OD2 3.25Å; R395-D448 IonicContact NE-OD1 3.72Å; R395-D448 IonicContact NE-OD2 2.69Å; R395-D448 PolarHBondContact NE-OD2 2.77Å; R395-D448 IonicContact NH2-OD1 3.33Å; R395-D448 PolarHBondContact NH2-OD1 3.47Å; R395-D448 IonicContact NH2-OD2 3.22Å; R395-D448 PolarHBondContact NH2-OD2 2.97Å |
| 396 | R | 97.2 | Very high | 95.9 | Very high | 16 Ų | 16 | 26 Ų | 26 | 6% | 0.06 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.4 | -49.5 | 175.9 | -65.8 | -92.1 | -78.4 | 174.1 | -0.2 | 110.6 | W27 K29 W266 E268 W392 G393 F394 L398 N399 F400 | W27-R396 PolarHBondContact O-NH1 3.3Å; W27-R396 PolarHBondContact O-NH2 2.82Å; K29-R396 PolarHBondContact O-NH1 2.82Å; W266-R396 HydrophobicContact CD2-CB 3.66Å; W266-R396 VanDerWaalsContact CE2-CB 3.41Å; W266-R396 HydrophobicContact CE3-CB 4.18Å; W266-R396 HydrophobicContact CG-CB 4.09Å; W266-R396 HydrophobicContact CH2-CB 4.24Å; W266-R396 HydrophobicContact CZ2-CB 3.73Å; W266-R396 HydrophobicContact CZ2-CG 4.44Å; W266-R396 HydrophobicContact CZ3-CB 4.44Å; E268-R396 IonicContact OE1-CZ 3.52Å; E268-R396 IonicContact OE1-NH2 2.9Å; E268-R396 PolarHBondContact OE1-NH2 3.19Å; E268-R396 IonicContact OE2-CZ 3.01Å; E268-R396 IonicContact OE2-NE 2.99Å; E268-R396 PolarHBondContact OE2-NE 3.38Å; E268-R396 VanDerWaalsContact OE2-NE 3.14Å; E268-R396 IonicContact OE2-NH2 3.38Å; E268-R396 PolarHBondContact OE2-NH2 3.32Å; W392-R396 HydrophobicContact CE3-CG 4.23Å; W392-R396 WeakPolarHBondContact O-CG 3.35Å; W392-R396 PolarHBondContact O-N 3.32Å; G393-R396 WeakPolarHBondContact O-CB 3.46Å; G393-R396 PolarHBondContact O-N 2.86Å; F394-R396 VanDerWaalsContact C-N 3.3Å; F394-R396 PolarHBondContact O-N 3.42Å; R396-L398 PolarHBondContact O-N 3.41Å; R396-N399 PolarHBondContact O-N 2.89Å; R396-F400 WeakPolarHBondContact O-CB 3.47Å; R396-F400 PolarHBondContact O-N 3.35Å |
| 397 | L | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.9 | -45.3 | 176.9 | -175.3 | 72.4 | 0 | 0 | 0 | 112.4 | G264 W266 V285 L289 I343 H345 G393 F394 N399 F400 V401 | G264-L397 WeakPolarHBondContact O-CD2 3.37Å; W266-L397 HydrophobicContact CE3-CB 4.01Å; W266-L397 HydrophobicContact CE3-CD1 4.04Å; V285-L397 HydrophobicContact CG1-CD1 4.36Å; L289-L397 HydrophobicContact CD2-CD1 4Å; I343-L397 HydrophobicContact CG2-CD2 4.07Å; H345-L397 HydrophobicContact CB-CD2 4.07Å; G393-L397 WeakPolarHBondContact O-CB 3.34Å; G393-L397 PolarHBondContact O-N 2.77Å; F394-L397 PolarHBondContact O-N 2.78Å; L397-N399 PolarHBondContact O-N 3.47Å; L397-F400 WeakPolarHBondContact O-CB 3.49Å; L397-F400 PolarHBondContact O-N 3.3Å; L397-V401 WeakPolarHBondContact O-CG2 3.31Å; L397-V401 PolarHBondContact O-N 2.92Å |
| 398 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.6 | -41.3 | 178.7 | -74.8 | 174.7 | 0 | 0 | 0 | 112.3 | F394 R396 V401 K402 I410 M442 A445 V450 V452 | F394-L398 HydrophobicContact CD1-CD1 4.49Å; F394-L398 HydrophobicContact CD2-CD1 4.09Å; F394-L398 HydrophobicContact CD2-CG 4.07Å; F394-L398 HydrophobicContact CE1-CD1 4.31Å; F394-L398 HydrophobicContact CE2-CD1 3.86Å; F394-L398 HydrophobicContact CE2-CD2 4.16Å; F394-L398 HydrophobicContact CE2-CG 3.91Å; F394-L398 HydrophobicContact CG-CD1 4.4Å; F394-L398 HydrophobicContact CZ-CD1 4Å; F394-L398 HydrophobicContact CZ-CG 4.5Å; F394-L398 WeakPolarHBondContact O-CB 3.15Å; F394-L398 WeakPolarHBondContact O-CG 3.43Å; F394-L398 PolarHBondContact O-N 3.22Å; R396-L398 PolarHBondContact O-N 3.41Å; L398-V401 PolarHBondContact O-N 3.03Å; L398-K402 WeakPolarHBondContact O-CB 3.33Å; L398-K402 PolarHBondContact O-N 3.3Å; L398-I410 HydrophobicContact CD2-CD1 4.18Å; L398-I410 HydrophobicContact CD2-CG2 4.13Å; L398-M442 HydrophobicContact CD1-CB 4.32Å; L398-M442 HydrophobicContact CD1-CG 4.26Å; L398-A445 HydrophobicContact CB-CB 3.93Å; L398-A445 HydrophobicContact CD1-CB 3.74Å; L398-V450 HydrophobicContact CB-CG1 4.2Å; L398-V450 HydrophobicContact CB-CG2 4.37Å; L398-V452 HydrophobicContact CD1-CG2 4.4Å; L398-V452 HydrophobicContact CD2-CG2 4.27Å |
| 399 | N | 98.2 | Very high | 97.2 | Very high | 28 Ų | 28 | 25.1 Ų | 25.1 | 15% | 0.15 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.1 | -36.9 | 173.7 | -82.8 | -74.9 | 0 | 0 | 0 | 112.2 | F25 R395 R396 L397 K402 T403 D448 | F25-N399 HydrophobicContact CE2-CB 4.06Å; R395-N399 PolarHBondContact O-N 3.32Å; R395-N399 PolarHBondContact O-ND2 2.9Å; R396-N399 PolarHBondContact O-N 2.89Å; L397-N399 PolarHBondContact O-N 3.47Å; N399-K402 WeakPolarHBondContact O-CB 3.38Å; N399-K402 PolarHBondContact O-N 3.21Å; N399-T403 PolarHBondContact O-N 3.12Å; N399-T403 PolarHBondContact O-OG1 3.3Å; N399-D448 PolarHBondContact ND2-OD2 3.41Å; N399-D448 WeakPolarHBondContact OD1-CB 3.32Å |
| 400 | F | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.4 | -49 | 172.7 | 175.2 | -92 | 0 | 0 | 0 | 111 | F25 W27 W266 V285 R396 L397 K402 T403 Q404 | F25-F400 HydrophobicContact CB-CD2 4.16Å; F25-F400 HydrophobicContact CD1-CD2 4Å; F25-F400 HydrophobicContact CD2-CB 4.09Å; F25-F400 HydrophobicContact CD2-CD2 4.37Å; F25-F400 HydrophobicContact CE2-CB 3.99Å; F25-F400 HydrophobicContact CG-CB 4.45Å; F25-F400 AromaticContact CG-CD2 3.91Å; F25-F400 HydrophobicContact CG-CD2 3.91Å; F25-F400 HydrophobicContact CZ-CB 4.28Å; W27-F400 HydrophobicContact CH2-CD2 4.49Å; W27-F400 HydrophobicContact CH2-CE2 4.42Å; W27-F400 HydrophobicContact CZ2-CD2 4.07Å; W27-F400 AromaticContact CZ2-CE2 3.79Å; W27-F400 HydrophobicContact CZ2-CE2 3.79Å; W266-F400 HydrophobicContact CH2-CB 4.13Å; W266-F400 HydrophobicContact CH2-CD2 4.35Å; W266-F400 HydrophobicContact CH2-CG 4.45Å; W266-F400 HydrophobicContact CZ3-CB 3.65Å; W266-F400 HydrophobicContact CZ3-CD2 4.2Å; W266-F400 AromaticContact CZ3-CG 3.93Å; W266-F400 HydrophobicContact CZ3-CG 3.93Å; V285-F400 HydrophobicContact CB-CZ 4.49Å; V285-F400 HydrophobicContact CG1-CD1 3.9Å; V285-F400 HydrophobicContact CG1-CE1 3.44Å; V285-F400 VanDerWaalsContact CG1-CE1 3.44Å; V285-F400 HydrophobicContact CG1-CZ 3.81Å; R396-F400 WeakPolarHBondContact O-CB 3.47Å; R396-F400 PolarHBondContact O-N 3.35Å; L397-F400 WeakPolarHBondContact O-CB 3.49Å; L397-F400 PolarHBondContact O-N 3.3Å; F400-K402 VanDerWaalsContact C-N 3.31Å; F400-K402 PolarHBondContact O-N 2.94Å; F400-T403 PolarHBondContact O-N 3.07Å; F400-Q404 HydrophobicContact CD1-CG 4Å; F400-Q404 HydrophobicContact CD2-CG 3.83Å; F400-Q404 HydrophobicContact CE1-CB 4.39Å; F400-Q404 HydrophobicContact CE1-CG 3.75Å; F400-Q404 HydrophobicContact CE2-CG 3.56Å; F400-Q404 HydrophobicContact CG-CG 4.05Å; F400-Q404 HydrophobicContact CZ-CG 3.54Å; F400-Q404 VanDerWaalsContact O-CB 3.28Å; F400-Q404 WeakPolarHBondContact O-CB 3.18Å; F400-Q404 WeakPolarHBondContact O-CG 3.31Å; F400-Q404 PolarHBondContact O-N 2.86Å |
| 401 | V | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.1 | -44.1 | 175.9 | 168.9 | 0 | 0 | 0 | 0 | 111.5 | L289 L341 I343 L397 L398 T403 Y405 P408 I410 | L289-V401 HydrophobicContact CD2-CG2 3.61Å; L341-V401 HydrophobicContact CD2-CG1 3.75Å; I343-V401 HydrophobicContact CD1-CG2 4.17Å; L397-V401 WeakPolarHBondContact O-CG2 3.31Å; L397-V401 PolarHBondContact O-N 2.92Å; L398-V401 PolarHBondContact O-N 3.03Å; V401-T403 PolarHBondContact O-N 3.25Å; V401-Y405 HydrophobicContact CB-CD2 4.36Å; V401-Y405 HydrophobicContact CG1-CD2 4.06Å; V401-Y405 HydrophobicContact CG2-CD2 4.49Å; V401-Y405 HydrophobicContact CG2-CE2 4.48Å; V401-Y405 PolarHBondContact O-N 3.23Å; V401-P408 HydrophobicContact CG1-CG 3.96Å; V401-I410 HydrophobicContact CB-CD1 4.36Å; V401-I410 HydrophobicContact CG1-CD1 3.64Å; V401-I410 HydrophobicContact CG1-CG1 4.29Å |
| 402 | K | 98.1 | Very high | 97.8 | Very high | 59 Ų | 59 | 24.6 Ų | 24.6 | 26% | 0.257 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -55.9 | -51.2 | 176.2 | 169.4 | -171.8 | 177.5 | -154.9 | 0 | 111.3 | L398 N399 F400 G406 N407 D448 V450 | L398-K402 WeakPolarHBondContact O-CB 3.33Å; L398-K402 PolarHBondContact O-N 3.3Å; N399-K402 WeakPolarHBondContact O-CB 3.38Å; N399-K402 PolarHBondContact O-N 3.21Å; F400-K402 VanDerWaalsContact C-N 3.31Å; F400-K402 PolarHBondContact O-N 2.94Å; K402-G406 PolarHBondContact O-N 3.36Å; K402-N407 HydrophobicContact CG-CB 3.82Å; K402-N407 PolarHBondContact O-N 3.25Å; K402-D448 PolarHBondContact NZ-O 3.32Å; K402-V450 HydrophobicContact CB-CG1 4.49Å; K402-V450 HydrophobicContact CB-CG2 4.01Å; K402-V450 HydrophobicContact CD-CG2 3.84Å; K402-V450 HydrophobicContact CG-CG2 4.5Å |
| 403 | T | 97.3 | Very high | 98 | Very high | 46 Ų | 46 | 23 Ų | 23 | 28% | 0.282 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -68.4 | -46.5 | -177.2 | -62.7 | 0 | 0 | 0 | 0 | 111.7 | E23 F25 N399 F400 V401 Y405 | E23-T403 WeakPolarHBondContact O-CG2 3.01Å; F25-T403 HydrophobicContact CB-CG2 4.13Å; N399-T403 PolarHBondContact O-N 3.12Å; N399-T403 PolarHBondContact O-OG1 3.3Å; F400-T403 PolarHBondContact O-N 3.07Å; V401-T403 PolarHBondContact O-N 3.25Å; T403-Y405 PolarHBondContact O-N 3.46Å |
| 404 | Q | 96.9 | Very high | 98 | Very high | 42 Ų | 42 | 23.5 Ų | 23.5 | 20% | 0.196 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -73.4 | -30.1 | -172 | -68.2 | -66.6 | -33.2 | 0 | 0 | 114 | H298 F400 | H298-Q404 PolarHBondContact CE1-O 2.93Å; H298-Q404 VanDerWaalsContact CE1-O 3.22Å; H298-Q404 PolarHBondContact NE2-O 3.02Å; F400-Q404 HydrophobicContact CD1-CG 4Å; F400-Q404 HydrophobicContact CD2-CG 3.83Å; F400-Q404 HydrophobicContact CE1-CB 4.39Å; F400-Q404 HydrophobicContact CE1-CG 3.75Å; F400-Q404 HydrophobicContact CE2-CG 3.56Å; F400-Q404 HydrophobicContact CG-CG 4.05Å; F400-Q404 HydrophobicContact CZ-CG 3.54Å; F400-Q404 VanDerWaalsContact O-CB 3.28Å; F400-Q404 WeakPolarHBondContact O-CB 3.18Å; F400-Q404 WeakPolarHBondContact O-CG 3.31Å; F400-Q404 PolarHBondContact O-N 2.86Å |
| 405 | Y | 97.4 | Very high | 98.1 | Very high | 14 Ų | 14 | 23.5 Ų | 23.5 | 6% | 0.055 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | 17.8 | -171.5 | -51.9 | -62.3 | 0 | 0 | 0 | 113.5 | A293 T294 F297 H298 V401 T403 | A293-Y405 HydrophobicContact CB-CE1 4.06Å; A293-Y405 HydrophobicContact CB-CE2 3.92Å; A293-Y405 WeakPolarHBondContact CB-OH 3.4Å; T294-Y405 PolarHBondContact OG1-OH 2.97Å; F297-Y405 HydrophobicContact CB-CD1 3.68Å; F297-Y405 HydrophobicContact CB-CE1 4.41Å; F297-Y405 HydrophobicContact CB-CG 4.42Å; F297-Y405 AromaticContact CD2-CD1 3.81Å; F297-Y405 HydrophobicContact CD2-CD1 3.81Å; F297-Y405 HydrophobicContact CD2-CE1 4.41Å; F297-Y405 AromaticContact CD2-CG 3.95Å; F297-Y405 HydrophobicContact CD2-CG 3.95Å; F297-Y405 HydrophobicContact CE2-CG 4.41Å; F297-Y405 AromaticContact CG-CD1 3.78Å; F297-Y405 HydrophobicContact CG-CD1 3.78Å; F297-Y405 HydrophobicContact CG-CG 4.05Å; H298-Y405 AromaticContact CE1-CD1 3.99Å; V401-Y405 HydrophobicContact CB-CD2 4.36Å; V401-Y405 HydrophobicContact CG1-CD2 4.06Å; V401-Y405 HydrophobicContact CG2-CD2 4.49Å; V401-Y405 HydrophobicContact CG2-CE2 4.48Å; V401-Y405 PolarHBondContact O-N 3.23Å; T403-Y405 PolarHBondContact O-N 3.46Å |
| 406 | G | 96.6 | Very high | 98 | Very high | 68 Ų | 68 | 21.3 Ų | 21.3 | 70% | 0.701 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 38.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | K402 | K402-G406 PolarHBondContact O-N 3.36Š|
| 407 | N | 98.3 | Very high | 97.9 | Very high | 54 Ų | 54 | 20.6 Ų | 20.6 | 29% | 0.289 | 12% | 0.121 | S | C | . | . | S | Bend | trans | 52.2 | 56 | 179.8 | -160.5 | 20.8 | 0 | 0 | 0 | 114.2 | K402 G449 N451 | K402-N407 HydrophobicContact CG-CB 3.82Å; K402-N407 PolarHBondContact O-N 3.25Å; N407-G449 PolarHBondContact ND2-O 2.95Å; N407-G449 PolarHBondContact OD1-O 2.9Å; N407-N451 WeakPolarHBondContact OD1-CB 3.34Å; N407-N451 PolarHBondContact OD1-N 3.37Å |
| 408 | P | 98.3 | Very high | 97.5 | Very high | 18 Ų | 18 | 20.6 Ų | 20.6 | 12% | 0.117 | 12% | 0.121 | C | C | . | . | trans | -62.2 | 161.9 | -178.1 | 30 | -35.9 | 0 | 0 | 0 | 111 | F297 L341 V401 I410 | F297-P408 HydrophobicContact CE1-CB 3.86Å; F297-P408 HydrophobicContact CE1-CG 4.3Å; F297-P408 HydrophobicContact CZ-CB 3.92Å; F297-P408 HydrophobicContact CZ-CG 4.16Å; L341-P408 HydrophobicContact CD2-CG 4.48Å; V401-P408 HydrophobicContact CG1-CG 3.96Å; P408-I410 HydrophobicContact CG-CG1 4.35Å; P408-I410 PolarHBondContact O-N 3.12Å | ||
| 409 | M | 98.7 | Very high | 96.8 | Very high | 61 Ų | 61 | 21.6 Ų | 21.6 | 30% | 0.3 | 13% | 0.125 | S | C | . | . | trans | -63.9 | 122.1 | 167.5 | -173.2 | -175.9 | -59.2 | 0 | 0 | 109.3 | L257 F340 L341 Y411 K453 | L257-M409 HydrophobicContact CD1-SD 4.39Å; F340-M409 CarbonylContact C-O 3.44Å; F340-M409 WeakPolarHBondContact CA-O 3.36Å; F340-M409 HydrophobicContact CB-CB 4.21Å; F340-M409 HydrophobicContact CB-CG 4.2Å; F340-M409 HydrophobicContact CB-SD 4.16Å; L341-M409 PolarHBondContact N-O 3.09Å; M409-Y411 HydrophobicContact CG-CE2 4.24Å; M409-Y411 HydrophobicContact SD-CE2 3.89Å; M409-K453 HydrophobicContact CG-CG 3.49Å; M409-K453 VanDerWaalsContact CG-CG 3.49Å; M409-K453 HydrophobicContact SD-CG 4.06Å | ||
| 410 | I | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 134.5 | -177.9 | -64.9 | 167.4 | 0 | 0 | 0 | 110.5 | L341 I343 L398 V401 P408 V450 N451 V452 K453 | L341-I410 VanDerWaalsContact O-CA 3.31Å; L341-I410 WeakPolarHBondContact O-CA 3.24Å; I343-I410 HydrophobicContact CB-CG2 4.34Å; I343-I410 HydrophobicContact CG1-CG2 3.93Å; L398-I410 HydrophobicContact CD2-CD1 4.18Å; L398-I410 HydrophobicContact CD2-CG2 4.13Å; V401-I410 HydrophobicContact CB-CD1 4.36Å; V401-I410 HydrophobicContact CG1-CD1 3.64Å; V401-I410 HydrophobicContact CG1-CG1 4.29Å; P408-I410 HydrophobicContact CG-CG1 4.35Å; P408-I410 PolarHBondContact O-N 3.12Å; I410-V450 HydrophobicContact CD1-CG1 3.69Å; I410-N451 PolarHBondContact N-O 3.48Å; I410-V452 HydrophobicContact CB-CG2 4.36Å; I410-V452 HydrophobicContact CG2-CG1 4.44Å; I410-V452 HydrophobicContact CG2-CG2 4.35Å; I410-V452 CarbonylContact O-C 3.55Å; I410-V452 WeakPolarHBondContact O-CA 3.41Å; I410-K453 PolarHBondContact O-N 3.35Å |
| 411 | Y | 98.8 | Very high | 94.1 | Very high | 29 Ų | 29 | 29.6 Ų | 29.6 | 11% | 0.114 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 129.7 | 160 | -78.8 | -97.2 | 0 | 0 | 0 | 108.5 | F340 L341 G342 I343 M409 T413 K453 | F340-Y411 HydrophobicContact CB-CD2 4.1Å; F340-Y411 HydrophobicContact CB-CE2 4.4Å; F340-Y411 AromaticContact CD2-CD2 3.66Å; F340-Y411 HydrophobicContact CD2-CD2 3.66Å; F340-Y411 HydrophobicContact CD2-CE2 4.46Å; F340-Y411 HydrophobicContact CD2-CG 4.3Å; F340-Y411 HydrophobicContact CE2-CD2 4.35Å; F340-Y411 AromaticContact CG-CD2 3.99Å; F340-Y411 HydrophobicContact CG-CD2 3.99Å; F340-Y411 HydrophobicContact CG-CE2 4.41Å; L341-Y411 PolarHBondContact O-N 3.11Å; G342-Y411 CarbonylContact C-O 3.47Å; G342-Y411 VanDerWaalsContact CA-O 3.24Å; G342-Y411 WeakPolarHBondContact CA-O 3.31Å; I343-Y411 PolarHBondContact N-O 3.45Å; M409-Y411 HydrophobicContact CG-CE2 4.24Å; M409-Y411 HydrophobicContact SD-CE2 3.89Å; Y411-T413 PolarHBondContact O-N 2.99Å; Y411-K453 HydrophobicContact CD1-CB 4.34Å; Y411-K453 HydrophobicContact CD2-CB 4.22Å; Y411-K453 HydrophobicContact CE1-CB 3.85Å; Y411-K453 HydrophobicContact CE2-CB 3.71Å; Y411-K453 HydrophobicContact CE2-CG 4.21Å |
| 412 | V | 98.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 108.2 | 168.9 | -179.5 | 0 | 0 | 0 | 0 | 106.8 | I343 F394 N415 M442 V452 G454 Y455 T456 | I343-V412 CarbonylContact O-C 3.55Å; I343-V412 WeakPolarHBondContact O-CA 3.44Å; F394-V412 HydrophobicContact CE2-CG2 4.38Å; F394-V412 HydrophobicContact CZ-CB 4.33Å; F394-V412 HydrophobicContact CZ-CG1 3.76Å; F394-V412 HydrophobicContact CZ-CG2 3.6Å; V412-N415 HydrophobicContact CG1-CB 4.09Å; V412-M442 HydrophobicContact CG2-SD 3.73Å; V412-V452 HydrophobicContact CG2-CG1 3.99Å; V412-G454 PolarHBondContact N-O 3.5Å; V412-Y455 HydrophobicContact CB-CD2 3.87Å; V412-Y455 HydrophobicContact CG1-CD2 3.67Å; V412-Y455 HydrophobicContact CG1-CE2 3.95Å; V412-Y455 HydrophobicContact CG2-CD2 4.4Å; V412-Y455 CarbonylContact O-C 3.44Å; V412-T456 VanDerWaalsContact O-CB 3.31Å; V412-T456 WeakPolarHBondContact O-CB 3.33Å; V412-T456 PolarHBondContact O-N 2.98Å; V412-T456 PolarHBondContact O-OG1 3.19Å |
| 413 | T | 98.6 | Very high | 90.5 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -25.2 | -170.7 | 40.8 | 0 | 0 | 0 | 0 | 112.5 | R111 I199 S261 I343 Y411 T456 | R111-T413 PolarHBondContact NH1-O 2.87Å; R111-T413 VanDerWaalsContact NH1-O 3.13Å; I199-T413 HydrophobicContact CD1-CG2 3.65Å; S261-T413 WeakPolarHBondContact OG-CB 3.45Å; S261-T413 PolarHBondContact OG-OG1 3.31Å; I343-T413 PolarHBondContact N-OG1 3.04Å; I343-T413 PolarHBondContact O-N 2.86Å; I343-T413 PolarHBondContact O-OG1 3.33Å; Y411-T413 PolarHBondContact O-N 2.99Å; T413-T456 VanDerWaalsContact O-CB 3.3Å; T413-T456 WeakPolarHBondContact O-CB 3.33Å; T413-T456 WeakPolarHBondContact O-CG2 3.44Å |
| 414 | E | 98.4 | Very high | 89 | Confident | 10 Ų | 10 | 40.1 Ų | 40.1 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 124.3 | 176.3 | -61.4 | -178.8 | 172.3 | 0 | 0 | 110.9 | R111 H157 N202 G344 H345 F346 W458 | R111-E414 IonicContact CZ-OE1 2.88Å; R111-E414 VanDerWaalsContact CZ-OE1 3.23Å; R111-E414 IonicContact NH1-OE1 3.87Å; R111-E414 PolarHBondContact NH1-OE1 3.36Å; R111-E414 IonicContact NH2-OE1 3.71Å; R111-E414 PolarHBondContact NH2-OE1 3.28Å; H157-E414 IonicContact CE1-OE1 2.77Å; H157-E414 PolarHBondContact CE1-OE1 3.08Å; N202-E414 VanDerWaalsContact CG-OE1 3.3Å; N202-E414 PolarHBondContact ND2-OE1 3.01Å; N202-E414 PolarHBondContact ND2-OE2 3.34Å; N202-E414 PolarHBondContact OD1-OE1 3.19Å; G344-E414 VanDerWaalsContact CA-O 3.25Å; G344-E414 WeakPolarHBondContact CA-O 3.23Å; H345-E414 PolarHBondContact N-O 3Å; F346-E414 HydrophobicContact CE2-CB 3.89Å; F346-E414 HydrophobicContact CZ-CB 3.76Å; E414-W458 HydrophobicContact CB-CB 4.27Å; E414-W458 HydrophobicContact CG-CD2 4.31Å; E414-W458 HydrophobicContact CG-CE3 3.96Å |
| 415 | N | 98.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 136.2 | 165.3 | 172.5 | -114.4 | 0 | 0 | 0 | 108.1 | H345 V412 Y434 Y438 Y455 T456 W458 | H345-N415 PolarHBondContact O-ND2 3.49Å; V412-N415 HydrophobicContact CG1-CB 4.09Å; N415-Y434 PolarHBondContact ND2-OH 3.13Å; N415-Y438 WeakPolarHBondContact ND2-CD1 3.18Å; N415-Y455 HydrophobicContact CB-CE2 3.7Å; N415-Y455 WeakPolarHBondContact OD1-CE2 3.3Å; N415-Y455 PolarHBondContact OD1-OH 2.88Å; N415-T456 PolarHBondContact N-O 3.32Å; N415-W458 PolarHBondContact O-N 3.29Å |
| 416 | G | 96.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | 174.5 | -174.8 | -176 | 0 | 0 | 0 | 0 | 0 | 111.8 | F346 Y434 W458 | F346-G416 WeakPolarHBondContact CD1-O 3.44Å; G416-Y434 VanDerWaalsContact C-CE1 3.47Å; G416-Y434 VanDerWaalsContact O-CE1 3.3Å; G416-Y434 WeakPolarHBondContact O-CE1 3.33Å; G416-Y434 PolarHBondContact O-OH 2.76Å; G416-Y434 VanDerWaalsContact O-OH 3.06Å; G416-W458 WeakPolarHBondContact CA-O 3.27Å | ||
| 417 | V | 94.6 | Very high | 87.1 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | trans | -148.6 | 136.1 | -177.1 | 61.9 | 0 | 0 | 0 | 0 | 110.7 | P382 L387 W430 R431 Y434 F474 | P382-V417 HydrophobicContact CB-CG2 3.46Å; P382-V417 VanDerWaalsContact CB-CG2 3.46Å; P382-V417 HydrophobicContact CG-CG2 3.52Å; L387-V417 HydrophobicContact CD1-CG2 4.24Å; L387-V417 HydrophobicContact CD2-CG2 4.07Å; V417-W430 HydrophobicContact CB-CZ3 4.14Å; V417-W430 HydrophobicContact CG1-CE3 4.11Å; V417-W430 HydrophobicContact CG1-CH2 4.32Å; V417-W430 HydrophobicContact CG1-CZ3 3.45Å; V417-W430 VanDerWaalsContact CG1-CZ3 3.45Å; V417-W430 HydrophobicContact CG2-CE3 4.44Å; V417-W430 HydrophobicContact CG2-CZ3 3.76Å; V417-R431 HydrophobicContact CG1-CB 4.16Å; V417-R431 HydrophobicContact CG1-CG 3.75Å; V417-R431 PolarHBondContact O-NE 2.69Å; V417-Y434 HydrophobicContact CB-CD1 3.95Å; V417-Y434 HydrophobicContact CB-CD2 3.69Å; V417-Y434 HydrophobicContact CB-CE1 4.19Å; V417-Y434 HydrophobicContact CB-CE2 3.91Å; V417-Y434 HydrophobicContact CB-CG 3.72Å; V417-Y434 HydrophobicContact CG1-CD1 3.76Å; V417-Y434 HydrophobicContact CG1-CD2 3.96Å; V417-Y434 HydrophobicContact CG1-CE1 4.45Å; V417-Y434 HydrophobicContact CG1-CG 3.5Å; V417-Y434 HydrophobicContact CG2-CD2 3.98Å; V417-Y434 HydrophobicContact CG2-CE2 4.24Å; V417-Y434 HydrophobicContact CG2-CG 4.41Å; V417-F474 VanDerWaalsContact C-CD1 3.48Å | ||
| 418 | S | 90.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -75.4 | 156.3 | 176.8 | 38.8 | 0 | 0 | 0 | 0 | 112.1 | S384 W430 R473 F474 | S384-S418 WeakPolarHBondContact CB-OG 3.3Å; S384-S418 VanDerWaalsContact OG-CB 3.31Å; S384-S418 WeakPolarHBondContact OG-CB 3.39Å; S384-S418 PolarHBondContact OG-OG 3.41Å; S418-W430 WeakPolarHBondContact O-CH2 3.48Å; S418-W430 WeakPolarHBondContact O-CZ3 3.3Å; S418-R473 CarbonylContact C-O 3.27Å; S418-R473 WeakPolarHBondContact CA-O 3.22Å; S418-F474 VanDerWaalsContact N-CE1 3.33Å | ||
| 419 | E | 83.1 | Confident | 86.4 | Confident | 20 Ų | 20 | 39.4 Ų | 39.4 | 9% | 0.093 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 125.5 | 162 | -177.6 | 172.9 | -177.4 | 0 | 0 | 107.7 | W430 R431 R473 K491 | E419-W430 HydrophobicContact CB-CH2 3.64Å; E419-W430 HydrophobicContact CB-CZ2 3.52Å; E419-W430 HydrophobicContact CG-CH2 4.34Å; E419-W430 HydrophobicContact CG-CZ2 3.73Å; E419-R431 IonicContact OE2-CZ 3.89Å; E419-R431 IonicContact OE2-NH1 3.6Å; E419-R431 PolarHBondContact OE2-NH1 3.17Å; E419-R431 IonicContact OE2-NH2 3.66Å; E419-R431 PolarHBondContact OE2-NH2 3.43Å; E419-R473 HydrophobicContact CB-CB 4.28Å; E419-R473 PolarHBondContact N-O 3.19Å; E419-R473 PolarHBondContact O-N 3.21Å; E419-K491 IonicContact OE2-NZ 3.62Å |
| 420 | K | 76.6 | Confident | 86 | Confident | 98 Ų | 98 | 40.6 Ų | 40.6 | 43% | 0.426 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 126.6 | 171 | -165.1 | 168.3 | -162.8 | 154.1 | 0 | 109.3 | G383 M422 | G383-K420 WeakPolarHBondContact O-CD 3.43Å; K420-M422 PolarHBondContact O-N 3.48Å |
| 421 | M | 63.8 | Low | 85.7 | Confident | 98 Ų | 98 | 40.6 Ų | 40.6 | 48% | 0.483 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -70.3 | 93 | -174.2 | -159.5 | 167.6 | 110.9 | 0 | 0 | 111.2 | S471 R473 | M421-S471 WeakPolarHBondContact CB-O 3.1Å; M421-S471 PolarHBondContact N-O 3.13Å; M421-R473 PolarHBondContact SD-NE 2.99Å |
| 422 | M | 59.9 | Low | 85.6 | Confident | 174 Ų | 174 | 39.2 Ų | 39.2 | 86% | 0.857 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -103.9 | -35.3 | 164 | -62.9 | -158.8 | 84.8 | 0 | 0 | 111.8 | K420 | K420-M422 PolarHBondContact O-N 3.48Š|
| 423 | C | 60.1 | Low | 85.4 | Confident | 101 Ų | 101 | 41.9 Ų | 41.9 | 68% | 0.682 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -151.9 | 150 | 174.8 | -73.6 | 0 | 0 | 0 | 0 | 108.9 | E425 | C423-E425 PolarHBondContact O-N 2.88Š|
| 424 | T | 67.1 | Low | 85.2 | Confident | 51 Ų | 51 | 42 Ų | 42 | 31% | 0.313 | 21% | 0.209 | S | C | . | . | trans | -75.4 | 106.1 | 173.9 | -55.4 | 0 | 0 | 0 | 0 | 109.6 | Y478 L530 | T424-Y478 HydrophobicContact CG2-CD1 4.3Å; T424-Y478 HydrophobicContact CG2-CD2 3.94Å; T424-Y478 HydrophobicContact CG2-CE1 4Å; T424-Y478 HydrophobicContact CG2-CE2 3.57Å; T424-Y478 HydrophobicContact CG2-CG 4.3Å; T424-L530 HydrophobicContact CG2-CD2 3.71Å | ||
| 425 | E | 73.8 | Confident | 85.2 | Confident | 99 Ų | 99 | 41.6 Ų | 41.6 | 46% | 0.463 | 21% | 0.208 | S | C | . | . | trans | -116.1 | 105.5 | 174.4 | -174.9 | 166.4 | -161.1 | 0 | 0 | 110.2 | C423 C427 | C423-E425 PolarHBondContact O-N 2.88Å; E425-C427 HydrophobicContact CG-CB 3.95Å; E425-C427 PolarHBondContact O-N 2.7Å | ||
| 426 | L | 87.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -69.2 | -10.5 | 172 | -56.5 | 179.3 | 0 | 0 | 0 | 111.7 | D428 Y478 K491 A492 C523 N527 L530 | L426-D428 VanDerWaalsContact C-N 3.32Å; L426-D428 PolarHBondContact O-N 2.8Å; L426-Y478 VanDerWaalsContact CD2-CB 3.47Å; L426-Y478 HydrophobicContact CD2-CD1 4.17Å; L426-Y478 HydrophobicContact CD2-CG 3.9Å; L426-K491 HydrophobicContact CD2-CG 4.13Å; L426-K491 CarbonylContact O-C 3.56Å; L426-K491 VanDerWaalsContact O-CA 3.3Å; L426-K491 WeakPolarHBondContact O-CA 3.43Å; L426-K491 WeakPolarHBondContact O-CB 3.45Å; L426-A492 PolarHBondContact O-N 2.88Å; L426-C523 PolarHBondContact O-SG 2.81Å; L426-N527 WeakPolarHBondContact CB-OD1 3.2Å; L426-N527 WeakPolarHBondContact CG-OD1 3.42Å; L426-N527 PolarHBondContact N-OD1 3.19Å; L426-L530 HydrophobicContact CD1-CB 4.47Å; L426-L530 HydrophobicContact CD1-CD2 4.16Å; L426-L530 HydrophobicContact CG-CD2 4.33Å |
| 427 | C | 89.4 | Confident | 85.2 | Confident | 15 Ų | 15 | 45.2 Ų | 45.2 | 10% | 0.101 | 23% | 0.225 | C | C | . | . | trans | -96.3 | 61.1 | -172.4 | -67 | 0 | 0 | 0 | 0 | 110.3 | E425 E429 C523 N527 | E425-C427 HydrophobicContact CG-CB 3.95Å; E425-C427 PolarHBondContact O-N 2.7Å; C427-E429 PolarHBondContact O-N 2.95Å; C427-C523 WeakPolarHBondContact CA-SG 3.43Å; C427-C523 HydrophobicContact CB-CB 4.08Å; C427-C523 WeakPolarHBondContact CB-SG 3.46Å; C427-C523 PolarHBondContact N-SG 2.93Å; C427-C523 WeakPolarHBondContact SG-CB 3.45Å; C427-C523 CovalentContact SG-SG 2.04Å; C427-C523 PolarHBondContact SG-SG 3.03Å; C427-N527 PolarHBondContact SG-ND2 2.76Å; C427-N527 VanDerWaalsContact SG-ND2 3.41Å | ||
| 428 | D | 90.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -79.4 | 60.5 | -172.7 | 60.8 | -19 | 0 | 0 | 0 | 113.7 | L426 W430 R431 I432 K491 A492 S493 | L426-D428 VanDerWaalsContact C-N 3.32Å; L426-D428 PolarHBondContact O-N 2.8Å; D428-W430 HydrophobicContact CB-CZ2 4.28Å; D428-W430 PolarHBondContact O-N 3.08Å; D428-R431 HydrophobicContact CB-CB 3.88Å; D428-R431 VanDerWaalsContact CG-NH1 3.26Å; D428-R431 WeakPolarHBondContact O-CB 3.33Å; D428-R431 PolarHBondContact O-N 3.44Å; D428-R431 VanDerWaalsContact OD2-CD 3.3Å; D428-R431 WeakPolarHBondContact OD2-CD 3.36Å; D428-R431 IonicContact OD2-CZ 3.23Å; D428-R431 IonicContact OD2-NE 3.41Å; D428-R431 IonicContact OD2-NH1 2.68Å; D428-R431 PolarHBondContact OD2-NH1 3.5Å; D428-I432 PolarHBondContact O-N 3.18Å; D428-K491 WeakPolarHBondContact OD2-CB 3.21Å; D428-A492 WeakPolarHBondContact OD1-CA 3.44Å; D428-A492 VanDerWaalsContact OD1-CB 3.27Å; D428-A492 WeakPolarHBondContact OD1-CB 3.41Å; D428-A492 PolarHBondContact OD1-N 2.81Å; D428-S493 PolarHBondContact OD1-N 2.69Å; D428-S493 WeakPolarHBondContact OD2-CB 3.33Å; D428-S493 PolarHBondContact OD2-OG 2.97Å | ||
| 429 | E | 90.8 | Very high | 85.8 | Confident | 67 Ų | 67 | 45.1 Ų | 45.1 | 31% | 0.313 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -56.6 | -36.4 | 179.6 | -78.7 | -158.8 | -141.4 | 0 | 0 | 113.9 | C427 R431 I432 Q433 R516 V520 | C427-E429 PolarHBondContact O-N 2.95Å; E429-R431 VanDerWaalsContact C-N 3.31Å; E429-R431 PolarHBondContact O-N 2.98Å; E429-I432 WeakPolarHBondContact O-CB 2.94Å; E429-I432 PolarHBondContact O-N 3.05Å; E429-Q433 PolarHBondContact O-N 2.8Å; E429-R516 IonicContact OE2-CZ 3.43Å; E429-R516 IonicContact OE2-NE 3.27Å; E429-R516 PolarHBondContact OE2-NE 3.42Å; E429-R516 IonicContact OE2-NH2 2.72Å; E429-R516 PolarHBondContact OE2-NH2 2.94Å; E429-V520 VanDerWaalsContact CD-CG2 3.46Å; E429-V520 HydrophobicContact CG-CG2 3.35Å; E429-V520 WeakPolarHBondContact OE1-CG1 3.3Å; E429-V520 WeakPolarHBondContact OE1-CG2 3.45Å |
| 430 | W | 89.7 | Confident | 86.5 | Confident | 86 Ų | 86 | 44.2 Ų | 44.2 | 33% | 0.326 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.6 | -34.5 | 177.4 | 57.4 | -93.9 | 0 | 0 | 0 | 111.2 | P382 V417 S418 E419 D428 Q433 Y434 | P382-W430 HydrophobicContact CB-CZ3 4.27Å; V417-W430 HydrophobicContact CB-CZ3 4.14Å; V417-W430 HydrophobicContact CG1-CE3 4.11Å; V417-W430 HydrophobicContact CG1-CH2 4.32Å; V417-W430 HydrophobicContact CG1-CZ3 3.45Å; V417-W430 VanDerWaalsContact CG1-CZ3 3.45Å; V417-W430 HydrophobicContact CG2-CE3 4.44Å; V417-W430 HydrophobicContact CG2-CZ3 3.76Å; S418-W430 WeakPolarHBondContact O-CH2 3.48Å; S418-W430 WeakPolarHBondContact O-CZ3 3.3Å; E419-W430 HydrophobicContact CB-CH2 3.64Å; E419-W430 HydrophobicContact CB-CZ2 3.52Å; E419-W430 HydrophobicContact CG-CH2 4.34Å; E419-W430 HydrophobicContact CG-CZ2 3.73Å; D428-W430 HydrophobicContact CB-CZ2 4.28Å; D428-W430 PolarHBondContact O-N 3.08Å; W430-Q433 PolarHBondContact O-N 2.92Å; W430-Y434 PolarHBondContact O-N 3.01Å |
| 431 | R | 93.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.8 | -38.4 | 173.8 | -172 | 175 | -63.7 | 107.5 | -9.3 | 110.8 | V417 E419 D428 E429 Q433 Y434 Y435 R473 | V417-R431 HydrophobicContact CG1-CB 4.16Å; V417-R431 HydrophobicContact CG1-CG 3.75Å; V417-R431 PolarHBondContact O-NE 2.69Å; E419-R431 IonicContact OE2-CZ 3.89Å; E419-R431 IonicContact OE2-NH1 3.6Å; E419-R431 PolarHBondContact OE2-NH1 3.17Å; E419-R431 IonicContact OE2-NH2 3.66Å; E419-R431 PolarHBondContact OE2-NH2 3.43Å; D428-R431 HydrophobicContact CB-CB 3.88Å; D428-R431 VanDerWaalsContact CG-NH1 3.26Å; D428-R431 WeakPolarHBondContact O-CB 3.33Å; D428-R431 PolarHBondContact O-N 3.44Å; D428-R431 VanDerWaalsContact OD2-CD 3.3Å; D428-R431 WeakPolarHBondContact OD2-CD 3.36Å; D428-R431 IonicContact OD2-CZ 3.23Å; D428-R431 IonicContact OD2-NE 3.41Å; D428-R431 IonicContact OD2-NH1 2.68Å; D428-R431 PolarHBondContact OD2-NH1 3.5Å; E429-R431 VanDerWaalsContact C-N 3.31Å; E429-R431 PolarHBondContact O-N 2.98Å; R431-Q433 VanDerWaalsContact C-N 3.3Å; R431-Q433 PolarHBondContact O-N 3.12Å; R431-Y434 PolarHBondContact O-N 3.3Å; R431-Y435 HydrophobicContact CG-CD2 3.82Å; R431-Y435 HydrophobicContact CG-CE2 3.67Å; R431-Y435 WeakPolarHBondContact O-CD2 3.37Å; R431-Y435 PolarHBondContact O-N 2.84Å; R431-R473 PolarHBondContact NH2-O 2.6Å |
| 432 | I | 95.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.3 | -47 | 169.2 | -70.7 | 172.5 | 0 | 0 | 0 | 110.5 | D428 E429 Y435 K436 A492 F496 R516 A519 | D428-I432 PolarHBondContact O-N 3.18Å; E429-I432 WeakPolarHBondContact O-CB 2.94Å; E429-I432 PolarHBondContact O-N 3.05Å; I432-Y435 PolarHBondContact O-N 3.33Å; I432-K436 WeakPolarHBondContact O-CB 3.41Å; I432-K436 PolarHBondContact O-N 3.03Å; I432-A492 HydrophobicContact CD1-CB 3.88Å; I432-F496 HydrophobicContact CB-CG 4.5Å; I432-F496 HydrophobicContact CD1-CB 4.13Å; I432-F496 HydrophobicContact CG1-CB 3.92Å; I432-F496 HydrophobicContact CG1-CG 4.3Å; I432-F496 HydrophobicContact CG2-CB 4.19Å; I432-F496 HydrophobicContact CG2-CD1 3.74Å; I432-F496 HydrophobicContact CG2-CD2 3.79Å; I432-F496 HydrophobicContact CG2-CE1 3.96Å; I432-F496 HydrophobicContact CG2-CE2 4.04Å; I432-F496 HydrophobicContact CG2-CG 3.64Å; I432-F496 HydrophobicContact CG2-CZ 4.11Å; I432-R516 HydrophobicContact CG2-CG 4.24Å; I432-A519 HydrophobicContact CD1-CB 3.86Å |
| 433 | Q | 94.4 | Very high | 91 | Very high | 56 Ų | 56 | 27.6 Ų | 27.6 | 26% | 0.262 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -64.3 | -43 | -179.7 | -170.8 | 58.2 | 47.9 | 0 | 0 | 111.6 | E429 W430 R431 K436 D437 | E429-Q433 PolarHBondContact O-N 2.8Å; W430-Q433 PolarHBondContact O-N 2.92Å; R431-Q433 VanDerWaalsContact C-N 3.3Å; R431-Q433 PolarHBondContact O-N 3.12Å; Q433-K436 PolarHBondContact O-N 3.46Å; Q433-D437 PolarHBondContact NE2-OD1 3.33Å; Q433-D437 PolarHBondContact NE2-OD2 3.28Å; Q433-D437 VanDerWaalsContact O-CG 3.3Å; Q433-D437 PolarHBondContact O-N 3.23Å |
| 434 | Y | 96 | Very high | 92.8 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.016 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -55.7 | -56.6 | 173.8 | -177.7 | -82.9 | 0 | 0 | 0 | 111.9 | F346 L387 S389 N415 G416 V417 W430 R431 K436 D437 Y438 | F346-Y434 PolarHBondContact O-OH 3.25Å; L387-Y434 HydrophobicContact CD2-CE2 4.34Å; S389-Y434 WeakPolarHBondContact OG-CD2 3.47Å; N415-Y434 PolarHBondContact ND2-OH 3.13Å; G416-Y434 VanDerWaalsContact C-CE1 3.47Å; G416-Y434 VanDerWaalsContact O-CE1 3.3Å; G416-Y434 WeakPolarHBondContact O-CE1 3.33Å; G416-Y434 PolarHBondContact O-OH 2.76Å; G416-Y434 VanDerWaalsContact O-OH 3.06Å; V417-Y434 HydrophobicContact CB-CD1 3.95Å; V417-Y434 HydrophobicContact CB-CD2 3.69Å; V417-Y434 HydrophobicContact CB-CE1 4.19Å; V417-Y434 HydrophobicContact CB-CE2 3.91Å; V417-Y434 HydrophobicContact CB-CG 3.72Å; V417-Y434 HydrophobicContact CG1-CD1 3.76Å; V417-Y434 HydrophobicContact CG1-CD2 3.96Å; V417-Y434 HydrophobicContact CG1-CE1 4.45Å; V417-Y434 HydrophobicContact CG1-CG 3.5Å; V417-Y434 HydrophobicContact CG2-CD2 3.98Å; V417-Y434 HydrophobicContact CG2-CE2 4.24Å; V417-Y434 HydrophobicContact CG2-CG 4.41Å; W430-Y434 PolarHBondContact O-N 3.01Å; R431-Y434 PolarHBondContact O-N 3.3Å; Y434-K436 VanDerWaalsContact C-N 3.32Å; Y434-K436 PolarHBondContact O-N 3.34Å; Y434-D437 PolarHBondContact O-N 2.74Å; Y434-Y438 HydrophobicContact CD1-CD2 4.06Å; Y434-Y438 HydrophobicContact CD1-CG 4.5Å; Y434-Y438 AromaticContact CD2-CD2 3.93Å; Y434-Y438 HydrophobicContact CD2-CD2 3.93Å; Y434-Y438 AromaticContact CD2-CE2 3.66Å; Y434-Y438 HydrophobicContact CD2-CE2 3.66Å; Y434-Y438 HydrophobicContact CE1-CD1 4.4Å; Y434-Y438 AromaticContact CE1-CD2 3.8Å; Y434-Y438 HydrophobicContact CE1-CD2 3.8Å; Y434-Y438 HydrophobicContact CE1-CE2 4.13Å; Y434-Y438 AromaticContact CE1-CG 3.97Å; Y434-Y438 HydrophobicContact CE1-CG 3.97Å; Y434-Y438 AromaticContact CE2-CD2 3.7Å; Y434-Y438 HydrophobicContact CE2-CD2 3.7Å; Y434-Y438 HydrophobicContact CE2-CE1 4.35Å; Y434-Y438 AromaticContact CE2-CE2 3.19Å; Y434-Y438 HydrophobicContact CE2-CE2 3.19Å; Y434-Y438 HydrophobicContact CE2-CG 4.48Å; Y434-Y438 AromaticContact CE2-CZ 3.57Å; Y434-Y438 HydrophobicContact CG-CD2 4.09Å; Y434-Y438 HydrophobicContact CG-CE2 4.3Å; Y434-Y438 AromaticContact CZ-CD2 3.61Å; Y434-Y438 AromaticContact CZ-CE1 3.91Å; Y434-Y438 AromaticContact CZ-CE2 3.45Å; Y434-Y438 VanDerWaalsContact CZ-CE2 3.45Å; Y434-Y438 AromaticContact CZ-CG 3.96Å; Y434-Y438 AromaticContact CZ-CZ 3.6Å; Y434-Y438 WeakPolarHBondContact O-CD2 3.34Å; Y434-Y438 PolarHBondContact O-N 3.5Å; Y434-Y438 WeakPolarHBondContact OH-CE1 3.42Å |
| 435 | Y | 97.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 20.9 Ų | 20.9 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.8 | -42.5 | -179.5 | -82.9 | -63.2 | 0 | 0 | 0 | 111.6 | R431 I432 D437 I439 Y455 A457 W458 L476 | R431-Y435 HydrophobicContact CG-CD2 3.82Å; R431-Y435 HydrophobicContact CG-CE2 3.67Å; R431-Y435 WeakPolarHBondContact O-CD2 3.37Å; R431-Y435 PolarHBondContact O-N 2.84Å; I432-Y435 PolarHBondContact O-N 3.33Å; Y435-D437 VanDerWaalsContact C-N 3.32Å; Y435-D437 PolarHBondContact O-N 3.17Å; Y435-I439 HydrophobicContact CD1-CD1 4.2Å; Y435-I439 WeakPolarHBondContact O-CB 3.5Å; Y435-I439 WeakPolarHBondContact O-CD1 3.17Å; Y435-I439 WeakPolarHBondContact O-CG1 3.22Å; Y435-I439 PolarHBondContact O-N 2.99Å; Y435-Y455 HydrophobicContact CD1-CE1 4.38Å; Y435-Y455 WeakPolarHBondContact CD1-OH 3.5Å; Y435-Y455 HydrophobicContact CE1-CE1 4.3Å; Y435-Y455 WeakPolarHBondContact CE1-OH 3.4Å; Y435-A457 HydrophobicContact CE1-CB 3.83Å; Y435-W458 PolarHBondContact OH-O 3.42Å; Y435-L476 HydrophobicContact CD2-CD2 4.47Å; Y435-L476 HydrophobicContact CE2-CD2 3.73Å |
| 436 | K | 97.4 | Very high | 95.5 | Very high | 35 Ų | 35 | 17.5 Ų | 17.5 | 15% | 0.152 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -54.9 | -48.5 | 176.6 | 177.3 | -176.4 | 164.6 | -165.6 | 0 | 111 | F35 I432 Q433 Y434 N440 F496 F506 V512 | F35-K436 HydrophobicContact CE2-CD 4.27Å; F35-K436 VanDerWaalsContact CE2-CE 3.49Å; F35-K436 HydrophobicContact CE2-CG 3.73Å; F35-K436 HydrophobicContact CZ-CG 4.09Å; I432-K436 WeakPolarHBondContact O-CB 3.41Å; I432-K436 PolarHBondContact O-N 3.03Å; Q433-K436 PolarHBondContact O-N 3.46Å; Y434-K436 VanDerWaalsContact C-N 3.32Å; Y434-K436 PolarHBondContact O-N 3.34Å; K436-N440 VanDerWaalsContact O-CB 3.26Å; K436-N440 WeakPolarHBondContact O-CB 3.38Å; K436-N440 PolarHBondContact O-N 3.22Å; K436-N440 VanDerWaalsContact O-N 3.13Å; K436-F496 HydrophobicContact CB-CE1 3.82Å; K436-F496 HydrophobicContact CB-CZ 4.04Å; K436-F496 HydrophobicContact CD-CZ 4.26Å; K436-F496 HydrophobicContact CG-CE1 4.41Å; K436-F496 HydrophobicContact CG-CZ 4.18Å; K436-F506 HydrophobicContact CG-CE1 4.25Å; K436-F506 WeakPolarHBondContact O-CZ 3.39Å; K436-V512 HydrophobicContact CD-CG1 4.27Å |
| 437 | D | 97.1 | Very high | 95.9 | Very high | 40 Ų | 40 | 25.8 Ų | 25.8 | 21% | 0.214 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -76.6 | -45.5 | -173.5 | -63.4 | -21.5 | 0 | 0 | 0 | 112.3 | P391 Q433 Y434 Y435 I439 N440 E441 | P391-D437 HydrophobicContact CB-CB 3.76Å; P391-D437 HydrophobicContact CG-CB 3.71Å; Q433-D437 PolarHBondContact NE2-OD1 3.33Å; Q433-D437 PolarHBondContact NE2-OD2 3.28Å; Q433-D437 VanDerWaalsContact O-CG 3.3Å; Q433-D437 PolarHBondContact O-N 3.23Å; Y434-D437 PolarHBondContact O-N 2.74Å; Y435-D437 VanDerWaalsContact C-N 3.32Å; Y435-D437 PolarHBondContact O-N 3.17Å; D437-I439 PolarHBondContact O-N 3.05Å; D437-N440 WeakPolarHBondContact O-CB 3.3Å; D437-N440 PolarHBondContact O-N 2.94Å; D437-N440 VanDerWaalsContact O-N 3.16Å; D437-E441 WeakPolarHBondContact O-CG 3.48Å; D437-E441 PolarHBondContact O-N 2.86Å |
| 438 | Y | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | 178.6 | -85.9 | -106.5 | 0 | 0 | 0 | 112.2 | H345 F346 V390 P391 F394 N415 Y434 N440 E441 M442 | H345-Y438 AromaticContact CD2-CE1 3.61Å; H345-Y438 AromaticContact NE2-CE1 3.89Å; F346-Y438 PolarHBondContact O-OH 2.96Å; V390-Y438 PolarHBondContact N-OH 3.46Å; P391-Y438 VanDerWaalsContact CA-CE2 3.46Å; P391-Y438 HydrophobicContact CB-CD2 3.55Å; P391-Y438 HydrophobicContact CB-CE2 3.69Å; P391-Y438 HydrophobicContact CB-CG 4.06Å; P391-Y438 HydrophobicContact CG-CD2 4.49Å; P391-Y438 HydrophobicContact CG-CE2 4.36Å; F394-Y438 HydrophobicContact CB-CD1 3.95Å; F394-Y438 HydrophobicContact CB-CE1 4.21Å; F394-Y438 AromaticContact CD1-CD1 3.9Å; F394-Y438 HydrophobicContact CD1-CD1 3.9Å; F394-Y438 HydrophobicContact CG-CD1 4.13Å; N415-Y438 WeakPolarHBondContact ND2-CD1 3.18Å; Y434-Y438 HydrophobicContact CD1-CD2 4.06Å; Y434-Y438 HydrophobicContact CD1-CG 4.5Å; Y434-Y438 AromaticContact CD2-CD2 3.93Å; Y434-Y438 HydrophobicContact CD2-CD2 3.93Å; Y434-Y438 AromaticContact CD2-CE2 3.66Å; Y434-Y438 HydrophobicContact CD2-CE2 3.66Å; Y434-Y438 HydrophobicContact CE1-CD1 4.4Å; Y434-Y438 AromaticContact CE1-CD2 3.8Å; Y434-Y438 HydrophobicContact CE1-CD2 3.8Å; Y434-Y438 HydrophobicContact CE1-CE2 4.13Å; Y434-Y438 AromaticContact CE1-CG 3.97Å; Y434-Y438 HydrophobicContact CE1-CG 3.97Å; Y434-Y438 AromaticContact CE2-CD2 3.7Å; Y434-Y438 HydrophobicContact CE2-CD2 3.7Å; Y434-Y438 HydrophobicContact CE2-CE1 4.35Å; Y434-Y438 AromaticContact CE2-CE2 3.19Å; Y434-Y438 HydrophobicContact CE2-CE2 3.19Å; Y434-Y438 HydrophobicContact CE2-CG 4.48Å; Y434-Y438 AromaticContact CE2-CZ 3.57Å; Y434-Y438 HydrophobicContact CG-CD2 4.09Å; Y434-Y438 HydrophobicContact CG-CE2 4.3Å; Y434-Y438 AromaticContact CZ-CD2 3.61Å; Y434-Y438 AromaticContact CZ-CE1 3.91Å; Y434-Y438 AromaticContact CZ-CE2 3.45Å; Y434-Y438 VanDerWaalsContact CZ-CE2 3.45Å; Y434-Y438 AromaticContact CZ-CG 3.96Å; Y434-Y438 AromaticContact CZ-CZ 3.6Å; Y434-Y438 WeakPolarHBondContact O-CD2 3.34Å; Y434-Y438 PolarHBondContact O-N 3.5Å; Y434-Y438 WeakPolarHBondContact OH-CE1 3.42Å; Y438-N440 VanDerWaalsContact C-N 3.26Å; Y438-N440 PolarHBondContact O-N 3.33Å; Y438-E441 PolarHBondContact O-N 3.33Å; Y438-M442 PolarHBondContact O-N 3.38Å |
| 439 | I | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.4 | -34.3 | 176.2 | -64.9 | 170.1 | 0 | 0 | 0 | 110 | F40 W46 Y435 D437 M442 L443 Y455 Y497 I500 F506 | F40-I439 HydrophobicContact CE2-CG2 3.82Å; F40-I439 HydrophobicContact CZ-CG2 3.54Å; F40-I439 WeakPolarHBondContact CZ-O 3.35Å; W46-I439 HydrophobicContact CH2-CG2 3.68Å; W46-I439 HydrophobicContact CZ3-CD1 4.23Å; W46-I439 HydrophobicContact CZ3-CG2 3.98Å; Y435-I439 HydrophobicContact CD1-CD1 4.2Å; Y435-I439 WeakPolarHBondContact O-CB 3.5Å; Y435-I439 WeakPolarHBondContact O-CD1 3.17Å; Y435-I439 WeakPolarHBondContact O-CG1 3.22Å; Y435-I439 PolarHBondContact O-N 2.99Å; D437-I439 PolarHBondContact O-N 3.05Å; I439-M442 HydrophobicContact CG2-CE 4.06Å; I439-M442 PolarHBondContact O-N 3.31Å; I439-L443 PolarHBondContact O-N 3.2Å; I439-Y455 HydrophobicContact CD1-CD1 4.47Å; I439-Y455 HydrophobicContact CD1-CE1 3.94Å; I439-Y455 HydrophobicContact CG1-CE1 4.08Å; I439-Y455 HydrophobicContact CG1-CE2 4.02Å; I439-Y497 HydrophobicContact CD1-CD2 4.18Å; I439-Y497 HydrophobicContact CD1-CE2 4Å; I439-I500 HydrophobicContact CD1-CD1 3.9Å; I439-I500 HydrophobicContact CG2-CG2 4.34Å; I439-F506 HydrophobicContact CB-CE2 4.3Å; I439-F506 HydrophobicContact CB-CZ 4.02Å; I439-F506 HydrophobicContact CG2-CE2 3.79Å; I439-F506 HydrophobicContact CG2-CZ 3.81Å |
| 440 | N | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.1 | -41.4 | 175.1 | -160.2 | -107.3 | 0 | 0 | 0 | 112.8 | F35 Y36 K436 D437 Y438 M442 L443 K444 F506 | F35-N440 HydrophobicContact CD2-CB 4.02Å; F35-N440 WeakPolarHBondContact CE1-ND2 3.47Å; F35-N440 HydrophobicContact CE2-CB 3.54Å; F35-N440 WeakPolarHBondContact CE2-ND2 3.4Å; F35-N440 HydrophobicContact CZ-CB 4.04Å; F35-N440 WeakPolarHBondContact CZ-ND2 3.42Å; Y36-N440 PolarHBondContact N-OD1 3.02Å; Y36-N440 PolarHBondContact O-ND2 3.14Å; K436-N440 VanDerWaalsContact O-CB 3.26Å; K436-N440 WeakPolarHBondContact O-CB 3.38Å; K436-N440 PolarHBondContact O-N 3.22Å; K436-N440 VanDerWaalsContact O-N 3.13Å; D437-N440 WeakPolarHBondContact O-CB 3.3Å; D437-N440 PolarHBondContact O-N 2.94Å; D437-N440 VanDerWaalsContact O-N 3.16Å; Y438-N440 VanDerWaalsContact C-N 3.26Å; Y438-N440 PolarHBondContact O-N 3.33Å; N440-M442 VanDerWaalsContact C-N 3.34Å; N440-L443 WeakPolarHBondContact O-CB 3.38Å; N440-L443 PolarHBondContact O-N 2.99Å; N440-L443 VanDerWaalsContact O-N 3.14Å; N440-K444 WeakPolarHBondContact O-CG 3.29Å; N440-K444 PolarHBondContact O-N 3.01Å; N440-K444 VanDerWaalsContact OD1-CE 3.22Å; N440-K444 WeakPolarHBondContact OD1-CE 3.34Å; N440-F506 HydrophobicContact CB-CE2 3.98Å; N440-F506 HydrophobicContact CB-CZ 4.46Å; N440-F506 WeakPolarHBondContact ND2-CD2 3.5Å |
| 441 | E | 98.5 | Very high | 97.4 | Very high | 17 Ų | 17 | 24.4 Ų | 24.4 | 8% | 0.079 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65 | -37.1 | 175.6 | -71.4 | -58 | 145.1 | 0 | 0 | 112.2 | P391 R395 D437 Y438 K444 A445 | P391-E441 HydrophobicContact CB-CG 3.92Å; P391-E441 WeakPolarHBondContact O-CB 3.33Å; P391-E441 WeakPolarHBondContact O-CG 3.31Å; R395-E441 HydrophobicContact CB-CB 4.03Å; R395-E441 WeakPolarHBondContact CB-OE2 3.36Å; R395-E441 WeakPolarHBondContact CD-OE2 3.04Å; D437-E441 WeakPolarHBondContact O-CG 3.48Å; D437-E441 PolarHBondContact O-N 2.86Å; Y438-E441 PolarHBondContact O-N 3.33Å; E441-K444 PolarHBondContact O-N 2.97Å; E441-K444 IonicContact OE1-NZ 2.99Å; E441-K444 PolarHBondContact OE1-NZ 3.49Å; E441-K444 IonicContact OE2-NZ 3.25Å; E441-A445 PolarHBondContact O-N 3.32Å |
| 442 | M | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.9 | -42.6 | 168.8 | 176.7 | -179.3 | 67.7 | 0 | 0 | 112.1 | F40 F44 W46 F394 L398 V412 Y438 I439 N440 K444 A445 I446 V452 Y455 | F40-M442 HydrophobicContact CD1-CE 4.35Å; F40-M442 HydrophobicContact CE1-CE 3.34Å; F40-M442 HydrophobicContact CE1-CG 4.26Å; F40-M442 HydrophobicContact CE1-SD 4.44Å; F40-M442 HydrophobicContact CZ-CE 3.57Å; F44-M442 HydrophobicContact CE1-CE 4.14Å; F44-M442 HydrophobicContact CZ-CE 3.64Å; F44-M442 HydrophobicContact CZ-SD 3.98Å; W46-M442 HydrophobicContact CH2-CE 4.25Å; W46-M442 HydrophobicContact CZ3-CE 4.32Å; F394-M442 HydrophobicContact CD1-CB 4.28Å; F394-M442 HydrophobicContact CE1-CB 3.83Å; F394-M442 HydrophobicContact CE1-CG 4.47Å; L398-M442 HydrophobicContact CD1-CB 4.32Å; L398-M442 HydrophobicContact CD1-CG 4.26Å; V412-M442 HydrophobicContact CG2-SD 3.73Å; Y438-M442 PolarHBondContact O-N 3.38Å; I439-M442 HydrophobicContact CG2-CE 4.06Å; I439-M442 PolarHBondContact O-N 3.31Å; N440-M442 VanDerWaalsContact C-N 3.34Å; M442-K444 VanDerWaalsContact C-N 3.3Å; M442-K444 PolarHBondContact O-N 2.64Å; M442-A445 WeakPolarHBondContact O-CB 3.16Å; M442-A445 PolarHBondContact O-N 2.6Å; M442-A445 VanDerWaalsContact O-N 3.15Å; M442-I446 HydrophobicContact CG-CD1 4.46Å; M442-I446 WeakPolarHBondContact O-CG1 3.1Å; M442-I446 PolarHBondContact O-N 3.34Å; M442-V452 HydrophobicContact CG-CG1 4.32Å; M442-V452 HydrophobicContact SD-CG1 3.98Å; M442-Y455 HydrophobicContact CE-CD2 3.66Å; M442-Y455 HydrophobicContact CE-CG 3.89Å; M442-Y455 HydrophobicContact SD-CD2 3.7Å; M442-Y455 HydrophobicContact SD-CG 4.31Å |
| 443 | L | 98.4 | Very high | 97.8 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.8 | -40.4 | 176.6 | -176.2 | 58.5 | 0 | 0 | 0 | 111.6 | Y36 F40 I439 N440 I446 R447 F506 | Y36-L443 HydrophobicContact CD1-CD2 3.58Å; Y36-L443 HydrophobicContact CD1-CG 3.69Å; Y36-L443 HydrophobicContact CE1-CD1 4.5Å; Y36-L443 HydrophobicContact CE1-CD2 3.89Å; Y36-L443 HydrophobicContact CE1-CG 3.9Å; F40-L443 HydrophobicContact CD1-CD1 3.93Å; F40-L443 HydrophobicContact CD2-CD1 3.95Å; F40-L443 HydrophobicContact CE1-CB 3.96Å; F40-L443 HydrophobicContact CE1-CD1 3.94Å; F40-L443 HydrophobicContact CE2-CB 4.1Å; F40-L443 HydrophobicContact CE2-CD1 4.01Å; F40-L443 HydrophobicContact CE2-CD2 4.21Å; F40-L443 HydrophobicContact CE2-CG 4.32Å; F40-L443 HydrophobicContact CG-CD1 3.93Å; F40-L443 HydrophobicContact CZ-CB 3.6Å; F40-L443 HydrophobicContact CZ-CD1 4.01Å; F40-L443 HydrophobicContact CZ-CG 4.24Å; I439-L443 PolarHBondContact O-N 3.2Å; N440-L443 WeakPolarHBondContact O-CB 3.38Å; N440-L443 PolarHBondContact O-N 2.99Å; N440-L443 VanDerWaalsContact O-N 3.14Å; L443-I446 PolarHBondContact O-N 3.39Å; L443-R447 PolarHBondContact O-N 3.28Å; L443-R447 VanDerWaalsContact O-N 3.1Å; L443-F506 HydrophobicContact CD2-CD2 4.09Å |
| 444 | K | 98 | Very high | 98 | Very high | 11 Ų | 11 | 25.8 Ų | 25.8 | 5% | 0.048 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.4 | -40.2 | 172.9 | -66.4 | 173.7 | -172.5 | 175.1 | 0 | 111.6 | H32 G33 S34 N440 E441 M442 I446 R447 D448 | H32-K444 PolarHBondContact O-NZ 2.89Å; H32-K444 VanDerWaalsContact O-NZ 3.08Å; G33-K444 PolarHBondContact O-NZ 2.74Å; S34-K444 WeakPolarHBondContact O-CE 3.32Å; S34-K444 PolarHBondContact O-NZ 3.07Å; N440-K444 WeakPolarHBondContact O-CG 3.29Å; N440-K444 PolarHBondContact O-N 3.01Å; N440-K444 VanDerWaalsContact OD1-CE 3.22Å; N440-K444 WeakPolarHBondContact OD1-CE 3.34Å; E441-K444 PolarHBondContact O-N 2.97Å; E441-K444 IonicContact OE1-NZ 2.99Å; E441-K444 PolarHBondContact OE1-NZ 3.49Å; E441-K444 IonicContact OE2-NZ 3.25Å; M442-K444 VanDerWaalsContact C-N 3.3Å; M442-K444 PolarHBondContact O-N 2.64Å; K444-I446 VanDerWaalsContact C-N 3.34Å; K444-I446 PolarHBondContact O-N 3.49Å; K444-R447 CarbonylContact O-C 3.54Å; K444-R447 WeakPolarHBondContact O-CA 3.4Å; K444-R447 WeakPolarHBondContact O-CB 3.23Å; K444-R447 PolarHBondContact O-N 2.91Å; K444-R447 VanDerWaalsContact O-N 3.1Å; K444-D448 PolarHBondContact O-N 3.01Å |
| 445 | A | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.7 | -40.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R395 L398 E441 M442 R447 D448 G449 V450 | R395-A445 HydrophobicContact CG-CB 4.04Å; L398-A445 HydrophobicContact CB-CB 3.93Å; L398-A445 HydrophobicContact CD1-CB 3.74Å; E441-A445 PolarHBondContact O-N 3.32Å; M442-A445 WeakPolarHBondContact O-CB 3.16Å; M442-A445 PolarHBondContact O-N 2.6Å; M442-A445 VanDerWaalsContact O-N 3.15Å; A445-R447 VanDerWaalsContact C-N 3.29Å; A445-R447 PolarHBondContact O-N 3.47Å; A445-D448 CarbonylContact O-C 3.44Å; A445-D448 WeakPolarHBondContact O-CA 3.48Å; A445-D448 WeakPolarHBondContact O-CB 3.38Å; A445-D448 PolarHBondContact O-N 3.41Å; A445-D448 VanDerWaalsContact O-N 3.08Å; A445-G449 PolarHBondContact O-N 3.36Å; A445-V450 HydrophobicContact CB-CB 4.3Å; A445-V450 HydrophobicContact CB-CG2 4.05Å; A445-V450 VanDerWaalsContact O-CB 3.3Å; A445-V450 WeakPolarHBondContact O-CB 3.46Å; A445-V450 VanDerWaalsContact O-CG2 3.25Å; A445-V450 WeakPolarHBondContact O-CG2 3.12Å; A445-V450 PolarHBondContact O-N 3.11Å |
| 446 | I | 98.4 | Very high | 98.2 | Very high | 28 Ų | 28 | 25.5 Ų | 25.5 | 14% | 0.144 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.7 | -40.4 | 173.7 | -67.3 | 168.6 | 0 | 0 | 0 | 110.7 | F40 P41 F44 M442 L443 K444 D448 G449 V452 | F40-I446 HydrophobicContact CD1-CD1 3.5Å; F40-I446 VanDerWaalsContact CD1-CD1 3.5Å; F40-I446 HydrophobicContact CE1-CD1 3.69Å; P41-I446 HydrophobicContact CG-CG2 3.86Å; F44-I446 HydrophobicContact CD2-CD1 4.38Å; F44-I446 HydrophobicContact CE2-CD1 3.9Å; M442-I446 HydrophobicContact CG-CD1 4.46Å; M442-I446 WeakPolarHBondContact O-CG1 3.1Å; M442-I446 PolarHBondContact O-N 3.34Å; L443-I446 PolarHBondContact O-N 3.39Å; K444-I446 VanDerWaalsContact C-N 3.34Å; K444-I446 PolarHBondContact O-N 3.49Å; I446-D448 VanDerWaalsContact C-N 3.27Å; I446-D448 PolarHBondContact O-N 2.73Å; I446-G449 WeakPolarHBondContact O-CA 3.5Å; I446-G449 PolarHBondContact O-N 3.49Å; I446-V452 HydrophobicContact CD1-CB 3.99Å; I446-V452 HydrophobicContact CG1-CB 3.84Å; I446-V452 HydrophobicContact CG1-CG2 4.03Å |
| 447 | R | 96.8 | Very high | 98.3 | Very high | 175 Ų | 175 | 23.9 Ų | 23.9 | 66% | 0.66 | 12% | 0.118 | S | C | * | . | H | α-helix | trans | -64.5 | -31.5 | 173.6 | -178.7 | -179.8 | 168.1 | -171.5 | -4.3 | 112.6 | L443 K444 A445 G449 | L443-R447 PolarHBondContact O-N 3.28Å; L443-R447 VanDerWaalsContact O-N 3.1Å; K444-R447 CarbonylContact O-C 3.54Å; K444-R447 WeakPolarHBondContact O-CA 3.4Å; K444-R447 WeakPolarHBondContact O-CB 3.23Å; K444-R447 PolarHBondContact O-N 2.91Å; K444-R447 VanDerWaalsContact O-N 3.1Å; A445-R447 VanDerWaalsContact C-N 3.29Å; A445-R447 PolarHBondContact O-N 3.47Å; R447-G449 PolarHBondContact O-N 2.92Å |
| 448 | D | 96.8 | Very high | 98.3 | Very high | 51 Ų | 51 | 22.4 Ų | 22.4 | 27% | 0.273 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -3 | 170.8 | -53.9 | -30.2 | 0 | 0 | 0 | 112.5 | R395 N399 K402 K444 A445 I446 | R395-D448 IonicContact CZ-OD1 2.72Å; R395-D448 IonicContact CZ-OD2 3.24Å; R395-D448 VanDerWaalsContact CZ-OD2 3.25Å; R395-D448 IonicContact NE-OD1 3.72Å; R395-D448 IonicContact NE-OD2 2.69Å; R395-D448 PolarHBondContact NE-OD2 2.77Å; R395-D448 IonicContact NH2-OD1 3.33Å; R395-D448 PolarHBondContact NH2-OD1 3.47Å; R395-D448 IonicContact NH2-OD2 3.22Å; R395-D448 PolarHBondContact NH2-OD2 2.97Å; N399-D448 PolarHBondContact ND2-OD2 3.41Å; N399-D448 WeakPolarHBondContact OD1-CB 3.32Å; K402-D448 PolarHBondContact NZ-O 3.32Å; K444-D448 PolarHBondContact O-N 3.01Å; A445-D448 CarbonylContact O-C 3.44Å; A445-D448 WeakPolarHBondContact O-CA 3.48Å; A445-D448 WeakPolarHBondContact O-CB 3.38Å; A445-D448 PolarHBondContact O-N 3.41Å; A445-D448 VanDerWaalsContact O-N 3.08Å; I446-D448 VanDerWaalsContact C-N 3.27Å; I446-D448 PolarHBondContact O-N 2.73Å |
| 449 | G | 97.9 | Very high | 98.3 | Very high | 36 Ų | 36 | 22.5 Ų | 22.5 | 37% | 0.371 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | 13.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | N407 A445 I446 R447 | N407-G449 PolarHBondContact ND2-O 2.95Å; N407-G449 PolarHBondContact OD1-O 2.9Å; A445-G449 PolarHBondContact O-N 3.36Å; I446-G449 WeakPolarHBondContact O-CA 3.5Å; I446-G449 PolarHBondContact O-N 3.49Å; R447-G449 PolarHBondContact O-N 2.92Å |
| 450 | V | 98.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 22.5 Ų | 22.5 | 2% | 0.024 | 11% | 0.11 | C | C | . | . | trans | -71 | 132.3 | 173.2 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | L398 K402 I410 A445 V452 | L398-V450 HydrophobicContact CB-CG1 4.2Å; L398-V450 HydrophobicContact CB-CG2 4.37Å; K402-V450 HydrophobicContact CB-CG1 4.49Å; K402-V450 HydrophobicContact CB-CG2 4.01Å; K402-V450 HydrophobicContact CD-CG2 3.84Å; K402-V450 HydrophobicContact CG-CG2 4.5Å; I410-V450 HydrophobicContact CD1-CG1 3.69Å; A445-V450 HydrophobicContact CB-CB 4.3Å; A445-V450 HydrophobicContact CB-CG2 4.05Å; A445-V450 VanDerWaalsContact O-CB 3.3Å; A445-V450 WeakPolarHBondContact O-CB 3.46Å; A445-V450 VanDerWaalsContact O-CG2 3.25Å; A445-V450 WeakPolarHBondContact O-CG2 3.12Å; A445-V450 PolarHBondContact O-N 3.11Å; V450-V452 VanDerWaalsContact C-N 3.33Å; V450-V452 HydrophobicContact CB-CG2 4.36Å; V450-V452 HydrophobicContact CG1-CG2 3.73Å; V450-V452 PolarHBondContact O-N 2.93Å | ||
| 451 | N | 98.6 | Very high | 98.3 | Very high | 47 Ų | 47 | 22.6 Ų | 22.6 | 25% | 0.251 | 11% | 0.111 | S | C | . | . | trans | -84.1 | 61.4 | -174.9 | -172.8 | 24 | 0 | 0 | 0 | 114 | N407 I410 K453 | N407-N451 WeakPolarHBondContact OD1-CB 3.34Å; N407-N451 PolarHBondContact OD1-N 3.37Å; I410-N451 PolarHBondContact N-O 3.48Å; N451-K453 WeakPolarHBondContact OD1-CE 3.34Å; N451-K453 PolarHBondContact OD1-NZ 3.3Å | ||
| 452 | V | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.024 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 131.4 | 177.1 | -168.5 | 0 | 0 | 0 | 0 | 111.3 | F44 L398 I410 V412 M442 I446 V450 | F44-V452 HydrophobicContact CE2-CB 4.4Å; F44-V452 HydrophobicContact CE2-CG1 3.96Å; F44-V452 HydrophobicContact CZ-CG1 4.31Å; L398-V452 HydrophobicContact CD1-CG2 4.4Å; L398-V452 HydrophobicContact CD2-CG2 4.27Å; I410-V452 HydrophobicContact CB-CG2 4.36Å; I410-V452 HydrophobicContact CG2-CG1 4.44Å; I410-V452 HydrophobicContact CG2-CG2 4.35Å; I410-V452 CarbonylContact O-C 3.55Å; I410-V452 WeakPolarHBondContact O-CA 3.41Å; V412-V452 HydrophobicContact CG2-CG1 3.99Å; M442-V452 HydrophobicContact CG-CG1 4.32Å; M442-V452 HydrophobicContact SD-CG1 3.98Å; I446-V452 HydrophobicContact CD1-CB 3.99Å; I446-V452 HydrophobicContact CG1-CB 3.84Å; I446-V452 HydrophobicContact CG1-CG2 4.03Å; V450-V452 VanDerWaalsContact C-N 3.33Å; V450-V452 HydrophobicContact CB-CG2 4.36Å; V450-V452 HydrophobicContact CG1-CG2 3.73Å; V450-V452 PolarHBondContact O-N 2.93Å |
| 453 | K | 98.6 | Very high | 98.1 | Very high | 81 Ų | 81 | 21.9 Ų | 21.9 | 35% | 0.352 | 11% | 0.108 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | -21.2 | -175.1 | -61.6 | -50.9 | -168.4 | -163.8 | 0 | 115.1 | S45 M409 I410 Y411 N451 | S45-K453 PolarHBondContact N-O 2.98Å; M409-K453 HydrophobicContact CG-CG 3.49Å; M409-K453 VanDerWaalsContact CG-CG 3.49Å; M409-K453 HydrophobicContact SD-CG 4.06Å; I410-K453 PolarHBondContact O-N 3.35Å; Y411-K453 HydrophobicContact CD1-CB 4.34Å; Y411-K453 HydrophobicContact CD2-CB 4.22Å; Y411-K453 HydrophobicContact CE1-CB 3.85Å; Y411-K453 HydrophobicContact CE2-CB 3.71Å; Y411-K453 HydrophobicContact CE2-CG 4.21Å; N451-K453 WeakPolarHBondContact OD1-CE 3.34Å; N451-K453 PolarHBondContact OD1-NZ 3.3Å |
| 454 | G | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.2 | 167 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S45 V412 | S45-G454 CarbonylContact O-C 3.54Å; S45-G454 WeakPolarHBondContact O-CA 3.5Å; V412-G454 PolarHBondContact N-O 3.5Å |
| 455 | Y | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 134.1 | -176.1 | 177.7 | -87.7 | 0 | 0 | 0 | 111.6 | S45 W46 G47 H109 V412 N415 Y435 I439 M442 A457 Y497 | S45-Y455 PolarHBondContact O-N 3.43Å; W46-Y455 HydrophobicContact CE3-CD1 4.08Å; W46-Y455 HydrophobicContact CE3-CG 4.45Å; W46-Y455 HydrophobicContact CZ3-CD1 4.01Å; W46-Y455 HydrophobicContact CZ3-CG 4.19Å; G47-Y455 PolarHBondContact N-O 3.11Å; H109-Y455 PolarHBondContact CE1-O 3.32Å; H109-Y455 VanDerWaalsContact CE1-O 3.26Å; V412-Y455 HydrophobicContact CB-CD2 3.87Å; V412-Y455 HydrophobicContact CG1-CD2 3.67Å; V412-Y455 HydrophobicContact CG1-CE2 3.95Å; V412-Y455 HydrophobicContact CG2-CD2 4.4Å; V412-Y455 CarbonylContact O-C 3.44Å; N415-Y455 HydrophobicContact CB-CE2 3.7Å; N415-Y455 WeakPolarHBondContact OD1-CE2 3.3Å; N415-Y455 PolarHBondContact OD1-OH 2.88Å; Y435-Y455 HydrophobicContact CD1-CE1 4.38Å; Y435-Y455 WeakPolarHBondContact CD1-OH 3.5Å; Y435-Y455 HydrophobicContact CE1-CE1 4.3Å; Y435-Y455 WeakPolarHBondContact CE1-OH 3.4Å; I439-Y455 HydrophobicContact CD1-CD1 4.47Å; I439-Y455 HydrophobicContact CD1-CE1 3.94Å; I439-Y455 HydrophobicContact CG1-CE1 4.08Å; I439-Y455 HydrophobicContact CG1-CE2 4.02Å; M442-Y455 HydrophobicContact CE-CD2 3.66Å; M442-Y455 HydrophobicContact CE-CG 3.89Å; M442-Y455 HydrophobicContact SD-CD2 3.7Å; M442-Y455 HydrophobicContact SD-CG 4.31Å; Y455-A457 HydrophobicContact CE1-CB 4.18Å; Y455-Y497 HydrophobicContact CD1-CE2 4.14Å; Y455-Y497 WeakPolarHBondContact CD1-OH 3.4Å; Y455-Y497 HydrophobicContact CE1-CE2 4.02Å |
| 456 | T | 98.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.012 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 109.5 | -177.7 | -47.6 | 0 | 0 | 0 | 0 | 109.6 | H109 R111 V412 T413 N415 W458 | H109-T456 PolarHBondContact NE2-OG1 3.36Å; R111-T456 HydrophobicContact CB-CG2 3.85Å; V412-T456 VanDerWaalsContact O-CB 3.31Å; V412-T456 WeakPolarHBondContact O-CB 3.33Å; V412-T456 PolarHBondContact O-N 2.98Å; V412-T456 PolarHBondContact O-OG1 3.19Å; T413-T456 VanDerWaalsContact O-CB 3.3Å; T413-T456 WeakPolarHBondContact O-CB 3.33Å; T413-T456 WeakPolarHBondContact O-CG2 3.44Å; N415-T456 PolarHBondContact N-O 3.32Å; T456-W458 PolarHBondContact O-N 2.96Å |
| 457 | A | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 128.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | G47 A48 G49 Y435 Y455 L476 Y497 | G47-A457 PolarHBondContact O-N 3.12Å; A48-A457 CarbonylContact C-O 3.33Å; A48-A457 WeakPolarHBondContact CA-O 3.3Å; A48-A457 HydrophobicContact CB-CB 4.43Å; G49-A457 PolarHBondContact N-O 3.37Å; Y435-A457 HydrophobicContact CE1-CB 3.83Å; Y455-A457 HydrophobicContact CE1-CB 4.18Å; A457-L476 HydrophobicContact CB-CD1 4.05Å; A457-Y497 HydrophobicContact CB-CE1 3.88Å |
| 458 | W | 98.3 | Very high | 97.6 | Very high | 9 Ų | 9 | 17.7 Ų | 17.7 | 3% | 0.034 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 104.8 | 171.8 | -167.3 | -104.1 | 0 | 0 | 0 | 109.1 | H157 F346 E414 N415 G416 Y435 T456 F474 | H157-W458 AromaticContact CE1-CH2 3.76Å; F346-W458 HydrophobicContact CE1-CB 4.2Å; F346-W458 HydrophobicContact CE1-CG 4.48Å; F346-W458 HydrophobicContact CZ-CB 4.09Å; F346-W458 HydrophobicContact CZ-CG 4.2Å; E414-W458 HydrophobicContact CB-CB 4.27Å; E414-W458 HydrophobicContact CG-CD2 4.31Å; E414-W458 HydrophobicContact CG-CE3 3.96Å; N415-W458 PolarHBondContact O-N 3.29Å; G416-W458 WeakPolarHBondContact CA-O 3.27Å; Y435-W458 PolarHBondContact OH-O 3.42Å; T456-W458 PolarHBondContact O-N 2.96Å; W458-F474 AromaticContact CD1-CD1 3.84Å |
| 459 | S | 98.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.014 | 8% | 0.083 | C | C | . | . | cis | -133.6 | 170 | 8.4 | 52.6 | 0 | 0 | 0 | 0 | 112.4 | G49 L461 F474 G475 L476 | G49-S459 WeakPolarHBondContact O-CA 3.34Å; G49-S459 WeakPolarHBondContact O-CB 3.4Å; S459-L461 PolarHBondContact OG-O 3.38Å; S459-F474 PolarHBondContact N-O 2.77Å; S459-F474 VanDerWaalsContact N-O 3.15Å; S459-G475 CarbonylContact O-C 3.44Å; S459-G475 WeakPolarHBondContact O-CA 3.39Å; S459-G475 PolarHBondContact OG-N 3.11Å; S459-L476 PolarHBondContact O-N 3.05Å | ||
| 460 | L | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -60.9 | -49.8 | 171.9 | 179.2 | 64.7 | 0 | 0 | 0 | 110.5 | A48 G49 M102 Y110 L476 Y477 | A48-L460 HydrophobicContact CB-CB 3.92Å; A48-L460 HydrophobicContact CB-CD1 4.19Å; G49-L460 PolarHBondContact O-N 3.18Å; M102-L460 HydrophobicContact CE-CD2 3.45Å; M102-L460 VanDerWaalsContact CE-CD2 3.45Å; M102-L460 HydrophobicContact CG-CD1 4.37Å; M102-L460 HydrophobicContact CG-CD2 3.74Å; M102-L460 HydrophobicContact SD-CD2 4.38Å; Y110-L460 HydrophobicContact CD2-CD2 4.43Å; Y110-L460 HydrophobicContact CE2-CB 4.22Å; Y110-L460 HydrophobicContact CE2-CD2 3.83Å; L460-L476 PolarHBondContact O-N 3.35Å; L460-Y477 HydrophobicContact CD1-CD2 3.98Å; L460-Y477 HydrophobicContact CD1-CE2 4.04Å; L460-Y477 WeakPolarHBondContact O-CD2 3.04Å; L460-Y477 PolarHBondContact O-N 3.38Å |
| 461 | L | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 15.4 Ų | 15.4 | 2% | 0.016 | 8% | 0.075 | C | C | . | . | B | Isolated β-bridge | trans | -116.6 | 148.5 | -176.2 | -55.5 | -177.6 | 0 | 0 | 0 | 110.6 | C89 L101 S459 V479 R488 | C89-L461 HydrophobicContact CB-CD1 3.91Å; L101-L461 HydrophobicContact CD1-CD2 3.84Å; S459-L461 PolarHBondContact OG-O 3.38Å; L461-V479 HydrophobicContact CB-CG2 3.96Å; L461-V479 HydrophobicContact CD2-CG2 4.49Å; L461-R488 HydrophobicContact CD2-CG 3.7Å |
| 462 | D | 96.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.064 | C | C | . | . | trans | -57 | 142.7 | 155.1 | -72.6 | -16.8 | 0 | 0 | 0 | 107.5 | C89 R473 G475 Y477 Y478 V479 F481 K491 | C89-D462 PolarHBondContact SG-O 2.97Å; D462-R473 HydrophobicContact CB-CG 4.25Å; D462-R473 VanDerWaalsContact OD1-CB 3.32Å; D462-R473 WeakPolarHBondContact OD1-CB 3.45Å; D462-R473 VanDerWaalsContact OD2-CD 3.25Å; D462-R473 WeakPolarHBondContact OD2-CD 3.48Å; D462-R473 IonicContact OD2-CZ 3.66Å; D462-R473 IonicContact OD2-NE 2.88Å; D462-R473 IonicContact OD2-NH1 2.72Å; D462-R473 PolarHBondContact OD2-NH1 3.16Å; D462-G475 VanDerWaalsContact N-CA 3.32Å; D462-G475 VanDerWaalsContact OD1-CA 3.27Å; D462-G475 WeakPolarHBondContact OD1-CA 3.4Å; D462-G475 PolarHBondContact OD1-N 3.1Å; D462-Y477 PolarHBondContact N-O 3.41Å; D462-Y478 WeakPolarHBondContact OD2-CA 3.49Å; D462-Y478 WeakPolarHBondContact OD2-CD2 3.3Å; D462-V479 HydrophobicContact CB-CB 4.18Å; D462-V479 HydrophobicContact CB-CG2 4.12Å; D462-V479 VanDerWaalsContact O-CG2 3.24Å; D462-V479 WeakPolarHBondContact O-CG2 3.46Å; D462-F481 HydrophobicContact CB-CE2 4.16Å; D462-F481 HydrophobicContact CB-CZ 4.09Å; D462-F481 WeakPolarHBondContact O-CZ 3.37Å; D462-K491 IonicContact OD1-NZ 3.86Å; D462-K491 PolarHBondContact OD1-NZ 3.31Å; D462-K491 IonicContact OD2-NZ 2.69Å; D462-K491 PolarHBondContact OD2-NZ 2.66Å | ||
| 463 | K | 96.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.009 | 7% | 0.065 | C | C | . | . | trans | -155.7 | -178.8 | -163.8 | 72.5 | -30.4 | 170.2 | -67 | 0 | 110.8 | Q54 T55 E465 | Q54-K463 HydrophobicContact CB-CB 4.19Å; Q54-K463 HydrophobicContact CB-CG 3.95Å; Q54-K463 WeakPolarHBondContact O-CB 3.2Å; T55-K463 HydrophobicContact CG2-CB 3.96Å; K463-E465 WeakPolarHBondContact CE-OE2 3.48Å; K463-E465 VanDerWaalsContact NZ-CB 3.25Å; K463-E465 IonicContact NZ-OE1 3.05Å; K463-E465 PolarHBondContact NZ-OE1 3.43Å; K463-E465 IonicContact NZ-OE2 3.93Å; K463-E465 PolarHBondContact NZ-OE2 3.28Å; K463-E465 PolarHBondContact O-N 3.33Å | ||
| 464 | F | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.048 | C | C | . | . | trans | -73.2 | 107.6 | 174.8 | -177.9 | -96 | 0 | 0 | 0 | 111.1 | Y53 Q54 W69 I79 D83 W466 Y470 | Y53-F464 AromaticContact CD1-CD1 4Å; Y53-F464 HydrophobicContact CD1-CD1 4Å; Y53-F464 HydrophobicContact CD1-CE1 4.26Å; Y53-F464 AromaticContact CE1-CD1 3.72Å; Y53-F464 HydrophobicContact CE1-CD1 3.72Å; Y53-F464 AromaticContact CE1-CE1 3.64Å; Y53-F464 HydrophobicContact CE1-CE1 3.64Å; Y53-F464 HydrophobicContact CE1-CZ 4.45Å; Q54-F464 WeakPolarHBondContact CG-O 3.43Å; Q54-F464 PolarHBondContact NE2-O 3.3Å; Q54-F464 PolarHBondContact O-N 3.05Å; Q54-F464 VanDerWaalsContact O-N 3.11Å; W69-F464 HydrophobicContact CE3-CE1 4.4Å; I79-F464 HydrophobicContact CD1-CZ 4.19Å; I79-F464 HydrophobicContact CG1-CZ 4.24Å; I79-F464 HydrophobicContact CG2-CE2 3.98Å; I79-F464 HydrophobicContact CG2-CZ 3.85Å; D83-F464 HydrophobicContact CB-CE2 4.02Å; F464-W466 WeakPolarHBondContact CE1-O 3.29Å; F464-W466 WeakPolarHBondContact CZ-O 3.44Å; F464-W466 PolarHBondContact O-N 3.43Å; F464-Y470 HydrophobicContact CB-CE1 3.84Å; F464-Y470 HydrophobicContact CD2-CE1 4.11Å; F464-Y470 HydrophobicContact CD2-CE2 4.12Å; F464-Y470 AromaticContact CD2-CZ 3.82Å | ||
| 465 | E | 96.4 | Very high | 96 | Very high | 16 Ų | 16 | 10 Ų | 10 | 8% | 0.075 | 5% | 0.048 | C | C | . | . | trans | -46.8 | 16.6 | 168.4 | -147.2 | 95 | -83.3 | 0 | 0 | 120.8 | Q54 K463 D467 E468 G469 E472 F474 | Q54-E465 PolarHBondContact NE2-OE1 2.94Å; K463-E465 WeakPolarHBondContact CE-OE2 3.48Å; K463-E465 VanDerWaalsContact NZ-CB 3.25Å; K463-E465 IonicContact NZ-OE1 3.05Å; K463-E465 PolarHBondContact NZ-OE1 3.43Å; K463-E465 IonicContact NZ-OE2 3.93Å; K463-E465 PolarHBondContact NZ-OE2 3.28Å; K463-E465 PolarHBondContact O-N 3.33Å; E465-D467 PolarHBondContact O-N 2.86Å; E465-D467 VanDerWaalsContact O-N 3.17Å; E465-E468 HydrophobicContact CB-CB 4.48Å; E465-E468 WeakPolarHBondContact O-CB 3.49Å; E465-E468 PolarHBondContact O-N 3.39Å; E465-G469 WeakPolarHBondContact CA-O 3.31Å; E465-G469 PolarHBondContact N-O 2.84Å; E465-E472 HydrophobicContact CB-CB 4.26Å; E465-E472 HydrophobicContact CG-CB 4.23Å; E465-F474 HydrophobicContact CG-CD2 4.31Å; E465-F474 HydrophobicContact CG-CE2 4.09Å; E465-F474 WeakPolarHBondContact OE2-CD2 3.47Å; E465-F474 WeakPolarHBondContact OE2-CE2 3.22Å | ||
| 466 | W | 96.6 | Very high | 95.9 | Very high | 11 Ų | 11 | 10 Ų | 10 | 4% | 0.042 | 5% | 0.048 | C | C | . | . | G | 310 helix | trans | 54.3 | -121.4 | -167.7 | -54.5 | 118.4 | 0 | 0 | 0 | 112.3 | Y53 Q54 W69 H157 W158 F464 E468 G469 | Y53-W466 HydrophobicContact CD1-CE3 4.46Å; Y53-W466 AromaticContact CD1-CZ3 3.96Å; Y53-W466 HydrophobicContact CD1-CZ3 3.96Å; Y53-W466 HydrophobicContact CG-CZ3 4.44Å; Q54-W466 HydrophobicContact CG-CD2 4.24Å; Q54-W466 HydrophobicContact CG-CE3 4.28Å; Q54-W466 HydrophobicContact CG-CH2 3.72Å; Q54-W466 HydrophobicContact CG-CZ2 3.62Å; Q54-W466 HydrophobicContact CG-CZ3 4.04Å; W69-W466 AromaticContact CD1-CZ3 3.69Å; W69-W466 AromaticContact CD2-CE3 3.7Å; W69-W466 HydrophobicContact CD2-CE3 3.7Å; W69-W466 AromaticContact CD2-CZ3 3.86Å; W69-W466 HydrophobicContact CD2-CZ3 3.86Å; W69-W466 AromaticContact CE2-CE3 3.28Å; W69-W466 AromaticContact CE2-CZ3 3.47Å; W69-W466 VanDerWaalsContact CE2-CZ3 3.47Å; W69-W466 HydrophobicContact CE3-CE3 4.08Å; W69-W466 HydrophobicContact CG-CE3 4.34Å; W69-W466 HydrophobicContact CG-CZ3 4.01Å; W69-W466 HydrophobicContact CH2-CB 3.66Å; W69-W466 HydrophobicContact CH2-CD2 4.24Å; W69-W466 AromaticContact CH2-CE3 3.77Å; W69-W466 HydrophobicContact CH2-CE3 3.77Å; W69-W466 HydrophobicContact CH2-CG 4.26Å; W69-W466 HydrophobicContact CZ2-CB 4.19Å; W69-W466 AromaticContact CZ2-CD2 3.92Å; W69-W466 HydrophobicContact CZ2-CD2 3.92Å; W69-W466 AromaticContact CZ2-CE3 3.33Å; W69-W466 HydrophobicContact CZ2-CE3 3.33Å; W69-W466 HydrophobicContact CZ2-CG 4.31Å; W69-W466 AromaticContact CZ2-CZ3 3.97Å; W69-W466 HydrophobicContact CZ2-CZ3 3.97Å; W69-W466 HydrophobicContact CZ3-CB 4.21Å; W69-W466 HydrophobicContact CZ3-CE3 4.11Å; W69-W466 AromaticContact NE1-CE3 3.69Å; W69-W466 AromaticContact NE1-CZ3 3.34Å; W69-W466 VanDerWaalsContact NE1-CZ3 3.34Å; H157-W466 AromaticContact CD2-CZ2 3.76Å; H157-W466 AromaticContact NE2-CZ2 3.82Å; W158-W466 HydrophobicContact CB-CH2 4.15Å; W158-W466 HydrophobicContact CD2-CH2 4.24Å; W158-W466 AromaticContact CD2-CZ2 3.92Å; W158-W466 HydrophobicContact CD2-CZ2 3.92Å; W158-W466 AromaticContact CE3-CD2 3.69Å; W158-W466 HydrophobicContact CE3-CD2 3.69Å; W158-W466 AromaticContact CE3-CE2 3.25Å; W158-W466 HydrophobicContact CE3-CE3 4.09Å; W158-W466 HydrophobicContact CE3-CG 4.31Å; W158-W466 AromaticContact CE3-CH2 3.72Å; W158-W466 HydrophobicContact CE3-CH2 3.72Å; W158-W466 AromaticContact CE3-CZ2 3.28Å; W158-W466 HydrophobicContact CE3-CZ2 3.28Å; W158-W466 HydrophobicContact CE3-CZ3 4.11Å; W158-W466 AromaticContact CE3-NE1 3.68Å; W158-W466 HydrophobicContact CG-CH2 4.47Å; W158-W466 AromaticContact CH2-NE1 3.79Å; W158-W466 AromaticContact CZ3-CD1 3.55Å; W158-W466 AromaticContact CZ3-CD2 3.71Å; W158-W466 HydrophobicContact CZ3-CD2 3.71Å; W158-W466 AromaticContact CZ3-CE2 3.22Å; W158-W466 AromaticContact CZ3-CG 3.88Å; W158-W466 HydrophobicContact CZ3-CG 3.88Å; W158-W466 AromaticContact CZ3-CZ2 3.7Å; W158-W466 HydrophobicContact CZ3-CZ2 3.7Å; W158-W466 AromaticContact CZ3-NE1 3.1Å; F464-W466 WeakPolarHBondContact CE1-O 3.29Å; F464-W466 WeakPolarHBondContact CZ-O 3.44Å; F464-W466 PolarHBondContact O-N 3.43Å; W466-E468 PolarHBondContact O-N 3.1Å; W466-G469 PolarHBondContact O-N 3.11Å |
| 467 | D | 94.3 | Very high | 95.8 | Very high | 47 Ų | 47 | 10 Ų | 10 | 25% | 0.251 | 5% | 0.048 | S | C | . | . | G | 310 helix | trans | -66.6 | -18.5 | 177.3 | 55.2 | -46.3 | 0 | 0 | 0 | 114 | I79 Q80 H217 E465 G469 | I79-D467 WeakPolarHBondContact CA-O 3.22Å; Q80-D467 PolarHBondContact N-O 3.19Å; H217-D467 IonicContact CD2-OD1 2.88Å; H217-D467 PolarHBondContact CD2-OD1 2.85Å; H217-D467 IonicContact NE2-OD1 2.93Å; H217-D467 PolarHBondContact NE2-OD1 2.93Å; E465-D467 PolarHBondContact O-N 2.86Å; E465-D467 VanDerWaalsContact O-N 3.17Å; D467-G469 VanDerWaalsContact C-N 3.33Å; D467-G469 PolarHBondContact O-N 2.99Å |
| 468 | E | 94.2 | Very high | 95.6 | Very high | 55 Ų | 55 | 10.2 Ų | 10.2 | 26% | 0.257 | 5% | 0.049 | S | C | . | . | G | 310 helix | trans | -85.6 | 0.3 | 176.1 | -65.3 | -62 | 159.5 | 0 | 0 | 114.2 | E465 W466 Y470 S471 E472 | E465-E468 HydrophobicContact CB-CB 4.48Å; E465-E468 WeakPolarHBondContact O-CB 3.49Å; E465-E468 PolarHBondContact O-N 3.39Å; W466-E468 PolarHBondContact O-N 3.1Å; E468-Y470 PolarHBondContact O-N 2.82Å; E468-S471 WeakPolarHBondContact O-CB 3.3Å; E468-S471 PolarHBondContact O-N 2.87Å; E468-S471 PolarHBondContact O-OG 3.39Å; E468-S471 PolarHBondContact OE2-OG 3.49Å; E468-E472 HydrophobicContact CB-CB 4.32Å; E468-E472 HydrophobicContact CB-CG 3.92Å; E468-E472 HydrophobicContact CG-CG 4.06Å |
| 469 | G | 94.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | -128.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | E465 W466 D467 | E465-G469 WeakPolarHBondContact CA-O 3.31Å; E465-G469 PolarHBondContact N-O 2.84Å; W466-G469 PolarHBondContact O-N 3.11Å; D467-G469 VanDerWaalsContact C-N 3.33Å; D467-G469 PolarHBondContact O-N 2.99Å |
| 470 | Y | 93.9 | Very high | 95.1 | Very high | 27 Ų | 27 | 10.3 Ų | 10.3 | 11% | 0.106 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 13.3 | 174.1 | -58.1 | -72.2 | 0 | 0 | 0 | 113.8 | D83 T84 S88 F464 E468 F481 | D83-Y470 HydrophobicContact CB-CD2 3.83Å; D83-Y470 HydrophobicContact CB-CE2 3.95Å; D83-Y470 VanDerWaalsContact CG-CD2 3.5Å; D83-Y470 WeakPolarHBondContact OD2-CD2 3.43Å; D83-Y470 PolarHBondContact OD2-N 3.18Å; T84-Y470 PolarHBondContact O-OH 3.19Å; S88-Y470 WeakPolarHBondContact CA-OH 3.45Å; S88-Y470 PolarHBondContact N-OH 2.87Å; F464-Y470 HydrophobicContact CB-CE1 3.84Å; F464-Y470 HydrophobicContact CD2-CE1 4.11Å; F464-Y470 HydrophobicContact CD2-CE2 4.12Å; F464-Y470 AromaticContact CD2-CZ 3.82Å; E468-Y470 PolarHBondContact O-N 2.82Å; Y470-F481 HydrophobicContact CD1-CD1 4.06Å; Y470-F481 AromaticContact CD1-CD2 3.57Å; Y470-F481 HydrophobicContact CD1-CD2 3.57Å; Y470-F481 AromaticContact CD1-CE1 3.89Å; Y470-F481 HydrophobicContact CD1-CE1 3.89Å; Y470-F481 AromaticContact CD1-CE2 3.39Å; Y470-F481 HydrophobicContact CD1-CE2 3.39Å; Y470-F481 AromaticContact CD1-CG 3.91Å; Y470-F481 HydrophobicContact CD1-CG 3.91Å; Y470-F481 AromaticContact CD1-CZ 3.56Å; Y470-F481 HydrophobicContact CD1-CZ 3.56Å; Y470-F481 AromaticContact CE1-CD1 3.97Å; Y470-F481 HydrophobicContact CE1-CD1 3.97Å; Y470-F481 HydrophobicContact CE1-CD2 4.31Å; Y470-F481 AromaticContact CE1-CE1 3.8Å; Y470-F481 HydrophobicContact CE1-CE1 3.8Å; Y470-F481 HydrophobicContact CE1-CE2 4.17Å; Y470-F481 HydrophobicContact CE1-CG 4.23Å; Y470-F481 AromaticContact CE1-CZ 3.91Å; Y470-F481 HydrophobicContact CE1-CZ 3.91Å; Y470-F481 AromaticContact CG-CD2 3.79Å; Y470-F481 HydrophobicContact CG-CD2 3.79Å; Y470-F481 HydrophobicContact CG-CE2 4.01Å; Y470-F481 HydrophobicContact CG-CG 4.2Å |
| 471 | S | 90.7 | Very high | 94.8 | Very high | 17 Ų | 17 | 11.9 Ų | 11.9 | 12% | 0.119 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -79.9 | -22.6 | -173.2 | 76.4 | 0 | 0 | 0 | 0 | 114.1 | M421 E468 | M421-S471 WeakPolarHBondContact CB-O 3.1Å; M421-S471 PolarHBondContact N-O 3.13Å; E468-S471 WeakPolarHBondContact O-CB 3.3Å; E468-S471 PolarHBondContact O-N 2.87Å; E468-S471 PolarHBondContact O-OG 3.39Å; E468-S471 PolarHBondContact OE2-OG 3.49Å |
| 472 | E | 91.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 19.8 Ų | 19.8 | 2% | 0.019 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127.7 | 174.7 | -64.2 | -163.4 | 159.5 | 0 | 0 | 111.9 | S384 E465 E468 | S384-E472 WeakPolarHBondContact CA-OE1 3.07Å; S384-E472 VanDerWaalsContact CB-OE1 3.24Å; S384-E472 WeakPolarHBondContact CB-OE1 3.29Å; S384-E472 PolarHBondContact OG-OE1 3.46Å; S384-E472 PolarHBondContact OG-OE2 2.7Å; E465-E472 HydrophobicContact CB-CB 4.26Å; E465-E472 HydrophobicContact CG-CB 4.23Å; E468-E472 HydrophobicContact CB-CB 4.32Å; E468-E472 HydrophobicContact CB-CG 3.92Å; E468-E472 HydrophobicContact CG-CG 4.06Å |
| 473 | R | 92.6 | Very high | 94.2 | Very high | 13 Ų | 13 | 22.2 Ų | 22.2 | 5% | 0.049 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 103.9 | -170.3 | -75.1 | -179.2 | 179.5 | -94.1 | 4 | 112.9 | S418 E419 M421 R431 D462 Y478 V479 | S418-R473 CarbonylContact C-O 3.27Å; S418-R473 WeakPolarHBondContact CA-O 3.22Å; E419-R473 HydrophobicContact CB-CB 4.28Å; E419-R473 PolarHBondContact N-O 3.19Å; E419-R473 PolarHBondContact O-N 3.21Å; M421-R473 PolarHBondContact SD-NE 2.99Å; R431-R473 PolarHBondContact NH2-O 2.6Å; D462-R473 HydrophobicContact CB-CG 4.25Å; D462-R473 VanDerWaalsContact OD1-CB 3.32Å; D462-R473 WeakPolarHBondContact OD1-CB 3.45Å; D462-R473 VanDerWaalsContact OD2-CD 3.25Å; D462-R473 WeakPolarHBondContact OD2-CD 3.48Å; D462-R473 IonicContact OD2-CZ 3.66Å; D462-R473 IonicContact OD2-NE 2.88Å; D462-R473 IonicContact OD2-NH1 2.72Å; D462-R473 PolarHBondContact OD2-NH1 3.16Å; R473-Y478 VanDerWaalsContact NH1-CD2 3.34Å; R473-V479 PolarHBondContact NH1-O 2.99Å |
| 474 | F | 94.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.009 | 14% | 0.136 | C | C | . | . | trans | -92.3 | -12.9 | 178.7 | -81.6 | -95.3 | 0 | 0 | 0 | 114.8 | F346 W386 L387 V417 S418 W458 S459 E465 | F346-F474 HydrophobicContact CD1-CE1 4.27Å; F346-F474 HydrophobicContact CE1-CE1 4.03Å; W386-F474 HydrophobicContact CH2-CZ 4.48Å; W386-F474 AromaticContact CZ2-CZ 3.92Å; W386-F474 HydrophobicContact CZ2-CZ 3.92Å; L387-F474 HydrophobicContact CD1-CE1 3.96Å; L387-F474 HydrophobicContact CD1-CZ 3.99Å; V417-F474 VanDerWaalsContact C-CD1 3.48Å; S418-F474 VanDerWaalsContact N-CE1 3.33Å; W458-F474 AromaticContact CD1-CD1 3.84Å; S459-F474 PolarHBondContact N-O 2.77Å; S459-F474 VanDerWaalsContact N-O 3.15Å; E465-F474 HydrophobicContact CG-CD2 4.31Å; E465-F474 HydrophobicContact CG-CE2 4.09Å; E465-F474 WeakPolarHBondContact OE2-CD2 3.47Å; E465-F474 WeakPolarHBondContact OE2-CE2 3.22Å | ||
| 475 | G | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -65.4 | 140.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S459 D462 K491 | S459-G475 CarbonylContact O-C 3.44Å; S459-G475 WeakPolarHBondContact O-CA 3.39Å; S459-G475 PolarHBondContact OG-N 3.11Å; D462-G475 VanDerWaalsContact N-CA 3.32Å; D462-G475 VanDerWaalsContact OD1-CA 3.27Å; D462-G475 WeakPolarHBondContact OD1-CA 3.4Å; D462-G475 PolarHBondContact OD1-N 3.1Å; G475-K491 WeakPolarHBondContact O-CD 3.37Å; G475-K491 VanDerWaalsContact O-CE 3.24Å; G475-K491 WeakPolarHBondContact O-CE 3.24Å; G475-K491 PolarHBondContact O-NZ 2.72Å | ||
| 476 | L | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -62.6 | -36.5 | 159.3 | -66.7 | 173.9 | 0 | 0 | 0 | 110.4 | I105 Y435 A457 S459 L460 K491 V494 Y497 | I105-L476 HydrophobicContact CD1-CD1 3.91Å; Y435-L476 HydrophobicContact CD2-CD2 4.47Å; Y435-L476 HydrophobicContact CE2-CD2 3.73Å; A457-L476 HydrophobicContact CB-CD1 4.05Å; S459-L476 PolarHBondContact O-N 3.05Å; L460-L476 PolarHBondContact O-N 3.35Å; L476-K491 VanDerWaalsContact O-CB 3.29Å; L476-K491 WeakPolarHBondContact O-CB 3.27Å; L476-K491 VanDerWaalsContact O-CG 3.31Å; L476-K491 WeakPolarHBondContact O-CG 3.47Å; L476-K491 PolarHBondContact O-N 3.33Å; L476-K491 VanDerWaalsContact O-N 3.12Å; L476-V494 HydrophobicContact CB-CG2 3.86Å; L476-V494 WeakPolarHBondContact O-CG2 3.4Å; L476-Y497 HydrophobicContact CD1-CD1 3.74Å; L476-Y497 HydrophobicContact CD1-CE1 4.15Å |
| 477 | Y | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 127.7 | 172.7 | -69.1 | -97.6 | 0 | 0 | 0 | 110.8 | L101 E104 L460 D462 Y489 P490 V494 | L101-Y477 HydrophobicContact CB-CD2 4.44Å; L101-Y477 HydrophobicContact CB-CE1 4.15Å; L101-Y477 HydrophobicContact CB-CE2 3.93Å; L101-Y477 HydrophobicContact CD1-CD1 3.96Å; L101-Y477 HydrophobicContact CD1-CD2 4.3Å; L101-Y477 HydrophobicContact CD1-CE1 4.23Å; L101-Y477 HydrophobicContact CD1-CG 4Å; L101-Y477 HydrophobicContact CD2-CD1 4.04Å; L101-Y477 HydrophobicContact CD2-CE1 3.63Å; L101-Y477 HydrophobicContact CG-CD1 4.41Å; L101-Y477 HydrophobicContact CG-CE1 4.19Å; L101-Y477 PolarHBondContact O-OH 2.79Å; E104-Y477 PolarHBondContact OE2-OH 2.98Å; L460-Y477 HydrophobicContact CD1-CD2 3.98Å; L460-Y477 HydrophobicContact CD1-CE2 4.04Å; L460-Y477 WeakPolarHBondContact O-CD2 3.04Å; L460-Y477 PolarHBondContact O-N 3.38Å; D462-Y477 PolarHBondContact N-O 3.41Å; Y477-Y489 CarbonylContact C-O 3.32Å; Y477-Y489 WeakPolarHBondContact CA-O 3.45Å; Y477-P490 HydrophobicContact CD1-CB 4.04Å; Y477-P490 HydrophobicContact CE1-CB 3.71Å; Y477-P490 HydrophobicContact CE1-CG 4.49Å; Y477-V494 HydrophobicContact CD1-CG2 4.47Å; Y477-V494 HydrophobicContact CD2-CG2 3.95Å; Y477-V494 HydrophobicContact CE1-CG1 4.5Å; Y477-V494 HydrophobicContact CE1-CG2 4.26Å; Y477-V494 HydrophobicContact CE2-CG1 4.23Å; Y477-V494 HydrophobicContact CE2-CG2 3.73Å; Y477-V494 HydrophobicContact CG-CG2 4.33Å |
| 478 | Y | 94.7 | Very high | 93.4 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 2% | 0.024 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 133.8 | 170 | 171.9 | -101.3 | 0 | 0 | 0 | 110.3 | T424 L426 D462 R473 D480 R488 Y489 L530 | T424-Y478 HydrophobicContact CG2-CD1 4.3Å; T424-Y478 HydrophobicContact CG2-CD2 3.94Å; T424-Y478 HydrophobicContact CG2-CE1 4Å; T424-Y478 HydrophobicContact CG2-CE2 3.57Å; T424-Y478 HydrophobicContact CG2-CG 4.3Å; L426-Y478 VanDerWaalsContact CD2-CB 3.47Å; L426-Y478 HydrophobicContact CD2-CD1 4.17Å; L426-Y478 HydrophobicContact CD2-CG 3.9Å; D462-Y478 WeakPolarHBondContact OD2-CA 3.49Å; D462-Y478 WeakPolarHBondContact OD2-CD2 3.3Å; R473-Y478 VanDerWaalsContact NH1-CD2 3.34Å; Y478-D480 HydrophobicContact CE1-CB 3.86Å; Y478-R488 CarbonylContact O-C 3.51Å; Y478-R488 VanDerWaalsContact O-CA 3.3Å; Y478-R488 WeakPolarHBondContact O-CA 3.31Å; Y478-Y489 AromaticContact CD1-CD2 3.78Å; Y478-Y489 HydrophobicContact CD1-CD2 3.78Å; Y478-Y489 HydrophobicContact CD1-CE2 4.5Å; Y478-Y489 HydrophobicContact CE1-CD2 4.34Å; Y478-Y489 PolarHBondContact N-O 3.07Å; Y478-Y489 PolarHBondContact O-N 3.15Å; Y478-L530 HydrophobicContact CD1-CD2 4.44Å; Y478-L530 HydrophobicContact CE1-CD1 4.43Å; Y478-L530 HydrophobicContact CE1-CD2 4.23Å |
| 479 | V | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 122.6 | 173.4 | -174.4 | 0 | 0 | 0 | 0 | 109.4 | L461 D462 R473 F481 K486 R488 | L461-V479 HydrophobicContact CB-CG2 3.96Å; L461-V479 HydrophobicContact CD2-CG2 4.49Å; D462-V479 HydrophobicContact CB-CB 4.18Å; D462-V479 HydrophobicContact CB-CG2 4.12Å; D462-V479 VanDerWaalsContact O-CG2 3.24Å; D462-V479 WeakPolarHBondContact O-CG2 3.46Å; R473-V479 PolarHBondContact NH1-O 2.99Å; V479-F481 HydrophobicContact CB-CD1 4.29Å; V479-F481 HydrophobicContact CB-CE1 3.75Å; V479-F481 HydrophobicContact CB-CE2 4.34Å; V479-F481 HydrophobicContact CB-CZ 3.78Å; V479-F481 HydrophobicContact CG1-CD1 3.75Å; V479-F481 HydrophobicContact CG1-CE1 3.51Å; V479-F481 HydrophobicContact CG1-CZ 4.08Å; V479-F481 PolarHBondContact O-N 3.29Å; V479-F481 VanDerWaalsContact O-N 3.12Å; V479-K486 HydrophobicContact CG1-CB 3.99Å; V479-R488 HydrophobicContact CG2-CG 4.24Å |
| 480 | D | 92.6 | Very high | 93.2 | Very high | 13 Ų | 13 | 35.9 Ų | 35.9 | 7% | 0.07 | 17% | 0.166 | C | C | . | . | trans | -81.3 | 90.5 | 173.1 | -173.1 | 10.8 | 0 | 0 | 0 | 110.8 | Y478 R482 N483 P487 Y489 | Y478-D480 HydrophobicContact CE1-CB 3.86Å; D480-R482 PolarHBondContact O-N 2.81Å; D480-R482 WeakPolarHBondContact OD1-CB 3.36Å; D480-R482 PolarHBondContact OD1-N 3.35Å; D480-R482 IonicContact OD1-NE 2.89Å; D480-R482 PolarHBondContact OD1-NE 3.28Å; D480-R482 IonicContact OD1-NH2 3.34Å; D480-N483 HydrophobicContact CB-CB 4.18Å; D480-N483 PolarHBondContact O-N 2.86Å; D480-N483 WeakPolarHBondContact OD2-CB 3.29Å; D480-P487 HydrophobicContact CB-CG 4.19Å; D480-P487 PolarHBondContact N-O 2.91Å; D480-Y489 HydrophobicContact CB-CE2 4.42Å | ||
| 481 | F | 92.6 | Very high | 93.2 | Very high | 33 Ų | 33 | 34.7 Ų | 34.7 | 15% | 0.145 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -16.5 | -180 | -59.4 | -61.2 | 0 | 0 | 0 | 114 | S88 D462 Y470 V479 | S88-F481 WeakPolarHBondContact O-CD1 3.31Å; S88-F481 WeakPolarHBondContact O-CE1 3.41Å; D462-F481 HydrophobicContact CB-CE2 4.16Å; D462-F481 HydrophobicContact CB-CZ 4.09Å; D462-F481 WeakPolarHBondContact O-CZ 3.37Å; Y470-F481 HydrophobicContact CD1-CD1 4.06Å; Y470-F481 AromaticContact CD1-CD2 3.57Å; Y470-F481 HydrophobicContact CD1-CD2 3.57Å; Y470-F481 AromaticContact CD1-CE1 3.89Å; Y470-F481 HydrophobicContact CD1-CE1 3.89Å; Y470-F481 AromaticContact CD1-CE2 3.39Å; Y470-F481 HydrophobicContact CD1-CE2 3.39Å; Y470-F481 AromaticContact CD1-CG 3.91Å; Y470-F481 HydrophobicContact CD1-CG 3.91Å; Y470-F481 AromaticContact CD1-CZ 3.56Å; Y470-F481 HydrophobicContact CD1-CZ 3.56Å; Y470-F481 AromaticContact CE1-CD1 3.97Å; Y470-F481 HydrophobicContact CE1-CD1 3.97Å; Y470-F481 HydrophobicContact CE1-CD2 4.31Å; Y470-F481 AromaticContact CE1-CE1 3.8Å; Y470-F481 HydrophobicContact CE1-CE1 3.8Å; Y470-F481 HydrophobicContact CE1-CE2 4.17Å; Y470-F481 HydrophobicContact CE1-CG 4.23Å; Y470-F481 AromaticContact CE1-CZ 3.91Å; Y470-F481 HydrophobicContact CE1-CZ 3.91Å; Y470-F481 AromaticContact CG-CD2 3.79Å; Y470-F481 HydrophobicContact CG-CD2 3.79Å; Y470-F481 HydrophobicContact CG-CE2 4.01Å; Y470-F481 HydrophobicContact CG-CG 4.2Å; V479-F481 HydrophobicContact CB-CD1 4.29Å; V479-F481 HydrophobicContact CB-CE1 3.75Å; V479-F481 HydrophobicContact CB-CE2 4.34Å; V479-F481 HydrophobicContact CB-CZ 3.78Å; V479-F481 HydrophobicContact CG1-CD1 3.75Å; V479-F481 HydrophobicContact CG1-CE1 3.51Å; V479-F481 HydrophobicContact CG1-CZ 4.08Å; V479-F481 PolarHBondContact O-N 3.29Å; V479-F481 VanDerWaalsContact O-N 3.12Å |
| 482 | R | 89.8 | Confident | 93.4 | Very high | 169 Ų | 169 | 34 Ų | 34 | 64% | 0.638 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -26.1 | 176.7 | -59.8 | 171.4 | -62.4 | 174.5 | 6 | 111.6 | D480 E534 | D480-R482 PolarHBondContact O-N 2.81Å; D480-R482 WeakPolarHBondContact OD1-CB 3.36Å; D480-R482 PolarHBondContact OD1-N 3.35Å; D480-R482 IonicContact OD1-NE 2.89Å; D480-R482 PolarHBondContact OD1-NE 3.28Å; D480-R482 IonicContact OD1-NH2 3.34Å; R482-E534 IonicContact CZ-OE1 3.32Å; R482-E534 IonicContact NH1-OE1 3.72Å; R482-E534 IonicContact NH2-OE1 2.89Å; R482-E534 PolarHBondContact NH2-OE1 3.34Å |
| 483 | N | 90.7 | Very high | 93.6 | Very high | 51 Ų | 51 | 33.9 Ų | 33.9 | 27% | 0.273 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -83.6 | 128.2 | 176.1 | -174.6 | -35.9 | 0 | 0 | 0 | 109.8 | D480 N485 K486 P487 | D480-N483 HydrophobicContact CB-CB 4.18Å; D480-N483 PolarHBondContact O-N 2.86Å; D480-N483 WeakPolarHBondContact OD2-CB 3.29Å; N483-N485 PolarHBondContact O-N 3.43Å; N483-N485 VanDerWaalsContact O-N 3.1Å; N483-N485 PolarHBondContact OD1-N 3.02Å; N483-K486 PolarHBondContact O-N 3.31Å; N483-P487 HydrophobicContact CB-CG 4.27Å |
| 484 | K | 90.3 | Very high | 93.8 | Very high | 181 Ų | 181 | 33.2 Ų | 33.2 | 79% | 0.787 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -30.4 | -179.6 | -173.2 | 177.4 | 178.1 | -178.5 | 0 | 113.3 | K486 | K484-K486 VanDerWaalsContact C-N 3.31Š|
| 485 | N | 91.4 | Very high | 93.8 | Very high | 110 Ų | 110 | 34.9 Ų | 34.9 | 59% | 0.588 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -4 | 179.8 | -65.6 | -23.7 | 0 | 0 | 0 | 113.4 | K94 N483 | K94-N485 WeakPolarHBondContact CE-O 3.47Å; K94-N485 PolarHBondContact NZ-O 3.21Å; N483-N485 PolarHBondContact O-N 3.43Å; N483-N485 VanDerWaalsContact O-N 3.1Å; N483-N485 PolarHBondContact OD1-N 3.02Å |
| 486 | K | 94.5 | Very high | 93.9 | Very high | 9 Ų | 9 | 35 Ų | 35 | 4% | 0.039 | 16% | 0.161 | C | C | . | . | trans | 43.2 | 54.7 | -178.7 | -62 | 174.2 | -176.2 | -80.7 | 0 | 113.1 | S87 S88 E90 V479 N483 K484 R488 | S87-K486 WeakPolarHBondContact OG-CE 3.29Å; S87-K486 PolarHBondContact OG-NZ 3.3Å; S88-K486 WeakPolarHBondContact O-CD 3.43Å; S88-K486 WeakPolarHBondContact O-CE 3.5Å; S88-K486 PolarHBondContact O-NZ 3.45Å; E90-K486 HydrophobicContact CB-CD 3.99Å; E90-K486 HydrophobicContact CG-CD 3.66Å; V479-K486 HydrophobicContact CG1-CB 3.99Å; N483-K486 PolarHBondContact O-N 3.31Å; K484-K486 VanDerWaalsContact C-N 3.31Å; K486-R488 WeakPolarHBondContact O-CD 3.46Å; K486-R488 PolarHBondContact O-NH1 3.38Å | ||
| 487 | P | 94.6 | Very high | 94 | Very high | 29 Ų | 29 | 35 Ų | 35 | 19% | 0.188 | 16% | 0.162 | C | C | . | . | trans | -58.8 | 146.5 | -179.7 | 25.1 | -31.7 | 0 | 0 | 0 | 111.4 | D480 N483 Y489 | D480-P487 HydrophobicContact CB-CG 4.19Å; D480-P487 PolarHBondContact N-O 2.91Å; N483-P487 HydrophobicContact CB-CG 4.27Å; P487-Y489 HydrophobicContact CB-CE2 3.67Å; P487-Y489 WeakPolarHBondContact CB-OH 3.46Å; P487-Y489 HydrophobicContact CG-CE2 3.61Å; P487-Y489 WeakPolarHBondContact CG-OH 3.41Å | ||
| 488 | R | 94.2 | Very high | 94.1 | Very high | 28 Ų | 28 | 37 Ų | 37 | 11% | 0.106 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 125.8 | 179 | -65.7 | 82.7 | 159.5 | 122.6 | 1.1 | 109.5 | C89 K94 D98 L101 L461 Y478 V479 K486 | C89-R488 PolarHBondContact O-NH1 2.93Å; C89-R488 PolarHBondContact O-NH2 2.9Å; K94-R488 VanDerWaalsContact CD-CZ 3.49Å; D98-R488 IonicContact OD1-CZ 3.96Å; D98-R488 IonicContact OD1-NE 2.67Å; D98-R488 PolarHBondContact OD1-NE 2.72Å; D98-R488 IonicContact OD1-NH2 2.69Å; D98-R488 PolarHBondContact OD1-NH2 2.71Å; D98-R488 IonicContact OD2-NH2 3.74Å; L101-R488 HydrophobicContact CD1-CB 3.68Å; L101-R488 HydrophobicContact CD1-CG 3.81Å; L461-R488 HydrophobicContact CD2-CG 3.7Å; Y478-R488 CarbonylContact O-C 3.51Å; Y478-R488 VanDerWaalsContact O-CA 3.3Å; Y478-R488 WeakPolarHBondContact O-CA 3.31Å; V479-R488 HydrophobicContact CG2-CG 4.24Å; K486-R488 WeakPolarHBondContact O-CD 3.46Å; K486-R488 PolarHBondContact O-NH1 3.38Å |
| 489 | Y | 92.3 | Very high | 94.2 | Very high | 29 Ų | 29 | 42.3 Ų | 42.3 | 11% | 0.114 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 133.2 | 179.2 | -55.3 | -93.4 | 0 | 0 | 0 | 110.6 | Y477 Y478 D480 P487 K491 L530 E533 | Y477-Y489 CarbonylContact C-O 3.32Å; Y477-Y489 WeakPolarHBondContact CA-O 3.45Å; Y478-Y489 AromaticContact CD1-CD2 3.78Å; Y478-Y489 HydrophobicContact CD1-CD2 3.78Å; Y478-Y489 HydrophobicContact CD1-CE2 4.5Å; Y478-Y489 HydrophobicContact CE1-CD2 4.34Å; Y478-Y489 PolarHBondContact N-O 3.07Å; Y478-Y489 PolarHBondContact O-N 3.15Å; D480-Y489 HydrophobicContact CB-CE2 4.42Å; P487-Y489 HydrophobicContact CB-CE2 3.67Å; P487-Y489 WeakPolarHBondContact CB-OH 3.46Å; P487-Y489 HydrophobicContact CG-CE2 3.61Å; P487-Y489 WeakPolarHBondContact CG-OH 3.41Å; Y489-K491 PolarHBondContact O-N 3.31Å; Y489-L530 HydrophobicContact CD1-CD1 4.31Å; Y489-L530 HydrophobicContact CD2-CD1 3.97Å; Y489-L530 HydrophobicContact CE1-CD1 4.01Å; Y489-L530 HydrophobicContact CE2-CD1 3.59Å; Y489-L530 HydrophobicContact CG-CD1 4.29Å; Y489-E533 VanDerWaalsContact CE1-OE2 3.28Å; Y489-E533 WeakPolarHBondContact CE1-OE2 3.37Å; Y489-E533 VanDerWaalsContact CZ-OE2 3.24Å; Y489-E533 PolarHBondContact OH-OE2 3.16Å |
| 490 | P | 93.2 | Very high | 94.4 | Very high | 32 Ų | 32 | 42.3 Ų | 42.3 | 21% | 0.208 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 128.7 | 178.7 | 27.7 | -33 | 0 | 0 | 0 | 110.7 | Y477 V494 | Y477-P490 HydrophobicContact CD1-CB 4.04Å; Y477-P490 HydrophobicContact CE1-CB 3.71Å; Y477-P490 HydrophobicContact CE1-CG 4.49Å; P490-V494 HydrophobicContact CB-CB 4.12Å; P490-V494 HydrophobicContact CB-CG1 4.16Å; P490-V494 HydrophobicContact CB-CG2 4.01Å |
| 491 | K | 93.7 | Very high | 94.7 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 1% | 0.013 | 19% | 0.19 | C | C | . | . | trans | -79 | 167.3 | 165.3 | -54.3 | -178.6 | -171.3 | 168.2 | 0 | 110.3 | E419 L426 D428 D462 G475 L476 Y489 S493 V494 | E419-K491 IonicContact OE2-NZ 3.62Å; L426-K491 HydrophobicContact CD2-CG 4.13Å; L426-K491 CarbonylContact O-C 3.56Å; L426-K491 VanDerWaalsContact O-CA 3.3Å; L426-K491 WeakPolarHBondContact O-CA 3.43Å; L426-K491 WeakPolarHBondContact O-CB 3.45Å; D428-K491 WeakPolarHBondContact OD2-CB 3.21Å; D462-K491 IonicContact OD1-NZ 3.86Å; D462-K491 PolarHBondContact OD1-NZ 3.31Å; D462-K491 IonicContact OD2-NZ 2.69Å; D462-K491 PolarHBondContact OD2-NZ 2.66Å; G475-K491 WeakPolarHBondContact O-CD 3.37Å; G475-K491 VanDerWaalsContact O-CE 3.24Å; G475-K491 WeakPolarHBondContact O-CE 3.24Å; G475-K491 PolarHBondContact O-NZ 2.72Å; L476-K491 VanDerWaalsContact O-CB 3.29Å; L476-K491 WeakPolarHBondContact O-CB 3.27Å; L476-K491 VanDerWaalsContact O-CG 3.31Å; L476-K491 WeakPolarHBondContact O-CG 3.47Å; L476-K491 PolarHBondContact O-N 3.33Å; L476-K491 VanDerWaalsContact O-N 3.12Å; Y489-K491 PolarHBondContact O-N 3.31Å; K491-S493 PolarHBondContact O-N 3.06Å; K491-V494 WeakPolarHBondContact O-CB 3.47Å; K491-V494 PolarHBondContact O-N 3.32Å; K491-V494 VanDerWaalsContact O-N 3.12Å | ||
| 492 | A | 94.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.6 | -35.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L426 D428 I432 V494 Q495 F496 A519 C523 | L426-A492 PolarHBondContact O-N 2.88Å; D428-A492 WeakPolarHBondContact OD1-CA 3.44Å; D428-A492 VanDerWaalsContact OD1-CB 3.27Å; D428-A492 WeakPolarHBondContact OD1-CB 3.41Å; D428-A492 PolarHBondContact OD1-N 2.81Å; I432-A492 HydrophobicContact CD1-CB 3.88Å; A492-V494 PolarHBondContact O-N 2.82Å; A492-Q495 PolarHBondContact O-N 3.32Å; A492-F496 PolarHBondContact O-N 3.41Å; A492-A519 HydrophobicContact CB-CB 4.26Å; A492-A519 WeakPolarHBondContact O-CB 3.45Å; A492-C523 HydrophobicContact CB-CB 3.86Å |
| 493 | S | 95.7 | Very high | 95.3 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.014 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.2 | -30.8 | 176.3 | 58.8 | 0 | 0 | 0 | 0 | 114.3 | D428 K491 Q495 F496 Y497 | D428-S493 PolarHBondContact OD1-N 2.69Å; D428-S493 WeakPolarHBondContact OD2-CB 3.33Å; D428-S493 PolarHBondContact OD2-OG 2.97Å; K491-S493 PolarHBondContact O-N 3.06Å; S493-Q495 VanDerWaalsContact C-N 3.27Å; S493-Q495 PolarHBondContact O-N 3.17Å; S493-F496 PolarHBondContact O-N 3.24Å; S493-Y497 VanDerWaalsContact O-CB 3.29Å; S493-Y497 WeakPolarHBondContact O-CB 3.27Å; S493-Y497 PolarHBondContact O-N 2.9Å |
| 494 | V | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -55.9 | -45.7 | 173.7 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | I105 L476 Y477 P490 K491 A492 Y497 K498 | I105-V494 HydrophobicContact CB-CG1 4.45Å; I105-V494 HydrophobicContact CD1-CB 4.36Å; I105-V494 HydrophobicContact CD1-CG1 3.94Å; I105-V494 HydrophobicContact CG1-CG1 4.1Å; L476-V494 HydrophobicContact CB-CG2 3.86Å; L476-V494 WeakPolarHBondContact O-CG2 3.4Å; Y477-V494 HydrophobicContact CD1-CG2 4.47Å; Y477-V494 HydrophobicContact CD2-CG2 3.95Å; Y477-V494 HydrophobicContact CE1-CG1 4.5Å; Y477-V494 HydrophobicContact CE1-CG2 4.26Å; Y477-V494 HydrophobicContact CE2-CG1 4.23Å; Y477-V494 HydrophobicContact CE2-CG2 3.73Å; Y477-V494 HydrophobicContact CG-CG2 4.33Å; P490-V494 HydrophobicContact CB-CB 4.12Å; P490-V494 HydrophobicContact CB-CG1 4.16Å; P490-V494 HydrophobicContact CB-CG2 4.01Å; K491-V494 WeakPolarHBondContact O-CB 3.47Å; K491-V494 PolarHBondContact O-N 3.32Å; K491-V494 VanDerWaalsContact O-N 3.12Å; A492-V494 PolarHBondContact O-N 2.82Å; V494-Y497 PolarHBondContact O-N 2.86Å; V494-K498 VanDerWaalsContact O-CB 3.28Å; V494-K498 WeakPolarHBondContact O-CB 3.43Å; V494-K498 PolarHBondContact O-N 3.22Å |
| 495 | Q | 95.7 | Very high | 96 | Very high | 36 Ų | 36 | 27.9 Ų | 27.9 | 17% | 0.168 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -75.3 | -35.5 | -172.2 | -61.8 | -67.9 | -19.5 | 0 | 0 | 111.2 | A492 S493 R499 A519 M522 | A492-Q495 PolarHBondContact O-N 3.32Å; S493-Q495 VanDerWaalsContact C-N 3.27Å; S493-Q495 PolarHBondContact O-N 3.17Å; Q495-R499 VanDerWaalsContact O-CG 3.31Å; Q495-R499 WeakPolarHBondContact O-CG 3.38Å; Q495-R499 PolarHBondContact O-N 2.89Å; Q495-A519 HydrophobicContact CB-CB 4.07Å; Q495-M522 HydrophobicContact CB-CE 3.6Å; Q495-M522 HydrophobicContact CG-CE 3.19Å |
| 496 | F | 97.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.009 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.1 | -47.3 | 172.8 | -169.5 | -99.8 | 0 | 0 | 0 | 111.6 | I432 K436 A492 S493 K498 R499 I500 V512 W515 R516 A519 | I432-F496 HydrophobicContact CB-CG 4.5Å; I432-F496 HydrophobicContact CD1-CB 4.13Å; I432-F496 HydrophobicContact CG1-CB 3.92Å; I432-F496 HydrophobicContact CG1-CG 4.3Å; I432-F496 HydrophobicContact CG2-CB 4.19Å; I432-F496 HydrophobicContact CG2-CD1 3.74Å; I432-F496 HydrophobicContact CG2-CD2 3.79Å; I432-F496 HydrophobicContact CG2-CE1 3.96Å; I432-F496 HydrophobicContact CG2-CE2 4.04Å; I432-F496 HydrophobicContact CG2-CG 3.64Å; I432-F496 HydrophobicContact CG2-CZ 4.11Å; K436-F496 HydrophobicContact CB-CE1 3.82Å; K436-F496 HydrophobicContact CB-CZ 4.04Å; K436-F496 HydrophobicContact CD-CZ 4.26Å; K436-F496 HydrophobicContact CG-CE1 4.41Å; K436-F496 HydrophobicContact CG-CZ 4.18Å; A492-F496 PolarHBondContact O-N 3.41Å; S493-F496 PolarHBondContact O-N 3.24Å; F496-K498 PolarHBondContact O-N 2.93Å; F496-R499 WeakPolarHBondContact O-CB 3.44Å; F496-R499 PolarHBondContact O-N 3.34Å; F496-I500 HydrophobicContact CD1-CD1 3.88Å; F496-I500 HydrophobicContact CD1-CG1 4.4Å; F496-I500 HydrophobicContact CE1-CD1 3.63Å; F496-I500 HydrophobicContact CE1-CG1 4.21Å; F496-I500 PolarHBondContact O-N 2.91Å; F496-I500 VanDerWaalsContact O-N 3.14Å; F496-V512 HydrophobicContact CE2-CG1 4.16Å; F496-V512 HydrophobicContact CZ-CG1 3.99Å; F496-W515 HydrophobicContact CD2-CB 3.91Å; F496-W515 HydrophobicContact CE2-CB 4.07Å; F496-W515 HydrophobicContact CE2-CE3 4.42Å; F496-R516 HydrophobicContact CD2-CB 4.36Å; F496-R516 HydrophobicContact CE2-CB 4.21Å; F496-A519 HydrophobicContact CB-CB 4.49Å |
| 497 | Y | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.8 | -42.1 | 179.8 | -171.1 | -131.6 | 0 | 0 | 0 | 111.7 | W46 G47 I105 L107 I439 Y455 A457 L476 S493 V494 R499 I500 I501 | W46-Y497 AromaticContact CE3-CE2 3.92Å; W46-Y497 HydrophobicContact CE3-CE2 3.92Å; W46-Y497 HydrophobicContact CZ3-CE2 4.23Å; G47-Y497 PolarHBondContact O-OH 3.33Å; I105-Y497 HydrophobicContact CD1-CD1 3.64Å; I105-Y497 HydrophobicContact CD1-CG 4.46Å; I105-Y497 HydrophobicContact CG1-CD1 4.41Å; L107-Y497 HydrophobicContact CD2-CE1 4.16Å; I439-Y497 HydrophobicContact CD1-CD2 4.18Å; I439-Y497 HydrophobicContact CD1-CE2 4Å; Y455-Y497 HydrophobicContact CD1-CE2 4.14Å; Y455-Y497 WeakPolarHBondContact CD1-OH 3.4Å; Y455-Y497 HydrophobicContact CE1-CE2 4.02Å; A457-Y497 HydrophobicContact CB-CE1 3.88Å; L476-Y497 HydrophobicContact CD1-CD1 3.74Å; L476-Y497 HydrophobicContact CD1-CE1 4.15Å; S493-Y497 VanDerWaalsContact O-CB 3.29Å; S493-Y497 WeakPolarHBondContact O-CB 3.27Å; S493-Y497 PolarHBondContact O-N 2.9Å; V494-Y497 PolarHBondContact O-N 2.86Å; Y497-R499 PolarHBondContact O-N 3.45Å; Y497-R499 VanDerWaalsContact O-N 3.13Å; Y497-I500 WeakPolarHBondContact O-CB 3.48Å; Y497-I500 PolarHBondContact O-N 2.98Å; Y497-I501 HydrophobicContact CD1-CD1 3.89Å; Y497-I501 HydrophobicContact CE1-CD1 3.74Å; Y497-I501 HydrophobicContact CE1-CG1 4.45Å; Y497-I501 HydrophobicContact CE2-CD1 4.48Å; Y497-I501 HydrophobicContact CE2-CG1 4.34Å; Y497-I501 HydrophobicContact CG-CD1 4.32Å; Y497-I501 VanDerWaalsContact O-CG1 3.32Å; Y497-I501 WeakPolarHBondContact O-CG1 3.24Å; Y497-I501 PolarHBondContact O-N 3.28Å |
| 498 | K | 98.2 | Very high | 96.5 | Very high | 43 Ų | 43 | 26.1 Ų | 26.1 | 19% | 0.187 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -51.5 | -37 | 171.1 | -178.8 | 173.3 | 179.6 | 161.2 | 0 | 113.6 | E104 I105 V494 F496 S502 | E104-K498 WeakPolarHBondContact O-CD 3.41Å; E104-K498 WeakPolarHBondContact O-CE 3.44Å; E104-K498 PolarHBondContact O-NZ 2.96Å; I105-K498 HydrophobicContact CG1-CB 3.94Å; V494-K498 VanDerWaalsContact O-CB 3.28Å; V494-K498 WeakPolarHBondContact O-CB 3.43Å; V494-K498 PolarHBondContact O-N 3.22Å; F496-K498 PolarHBondContact O-N 2.93Å; K498-S502 WeakPolarHBondContact O-CB 3.16Å; K498-S502 PolarHBondContact O-N 2.88Å; K498-S502 PolarHBondContact O-OG 3.33Å |
| 499 | R | 98.1 | Very high | 96.6 | Very high | 116 Ų | 116 | 29.8 Ų | 29.8 | 44% | 0.438 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -75.8 | -37.8 | 179.2 | -65.9 | -69.3 | 178.1 | -175.5 | -1.2 | 112.4 | Q495 F496 Y497 I501 S502 S503 W515 | Q495-R499 VanDerWaalsContact O-CG 3.31Å; Q495-R499 WeakPolarHBondContact O-CG 3.38Å; Q495-R499 PolarHBondContact O-N 2.89Å; F496-R499 WeakPolarHBondContact O-CB 3.44Å; F496-R499 PolarHBondContact O-N 3.34Å; Y497-R499 PolarHBondContact O-N 3.45Å; Y497-R499 VanDerWaalsContact O-N 3.13Å; R499-I501 VanDerWaalsContact C-N 3.34Å; R499-S502 PolarHBondContact O-N 3.3Å; R499-S503 VanDerWaalsContact O-CB 3.28Å; R499-S503 WeakPolarHBondContact O-CB 3.24Å; R499-S503 PolarHBondContact O-N 2.92Å; R499-S503 PolarHBondContact O-OG 3.47Å; R499-W515 HydrophobicContact CB-CB 4.36Å; R499-W515 HydrophobicContact CB-CD2 3.46Å; R499-W515 VanDerWaalsContact CB-CD2 3.46Å; R499-W515 HydrophobicContact CB-CE3 3.57Å; R499-W515 HydrophobicContact CB-CG 3.82Å; R499-W515 HydrophobicContact CB-CH2 4.37Å; R499-W515 HydrophobicContact CB-CZ2 4.32Å; R499-W515 HydrophobicContact CB-CZ3 4.03Å; R499-W515 HydrophobicContact CG-CB 4.27Å; R499-W515 HydrophobicContact CG-CD2 4.05Å; R499-W515 HydrophobicContact CG-CG 3.87Å |
| 500 | I | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.7 | -50.3 | 170.7 | -65.9 | 175.1 | 0 | 0 | 0 | 109.6 | W46 I439 F496 Y497 S503 N504 G505 F506 W515 | W46-I500 HydrophobicContact CE3-CG2 4.49Å; W46-I500 HydrophobicContact CH2-CG2 3.64Å; W46-I500 HydrophobicContact CZ2-CG2 3.99Å; W46-I500 HydrophobicContact CZ3-CG2 3.92Å; I439-I500 HydrophobicContact CD1-CD1 3.9Å; I439-I500 HydrophobicContact CG2-CG2 4.34Å; F496-I500 HydrophobicContact CD1-CD1 3.88Å; F496-I500 HydrophobicContact CD1-CG1 4.4Å; F496-I500 HydrophobicContact CE1-CD1 3.63Å; F496-I500 HydrophobicContact CE1-CG1 4.21Å; F496-I500 PolarHBondContact O-N 2.91Å; F496-I500 VanDerWaalsContact O-N 3.14Å; Y497-I500 WeakPolarHBondContact O-CB 3.48Å; Y497-I500 PolarHBondContact O-N 2.98Å; I500-S503 CarbonylContact O-C 3.52Å; I500-S503 PolarHBondContact O-N 3.48Å; I500-N504 WeakPolarHBondContact O-CA 3.5Å; I500-N504 PolarHBondContact O-N 2.89Å; I500-G505 PolarHBondContact O-N 3.29Å; I500-G505 VanDerWaalsContact O-N 3.09Å; I500-F506 HydrophobicContact CD1-CE1 3.83Å; I500-F506 HydrophobicContact CD1-CZ 4.06Å; I500-F506 HydrophobicContact CG1-CE1 3.99Å; I500-F506 HydrophobicContact CG1-CZ 4.49Å; I500-W515 HydrophobicContact CG1-CZ3 4.47Å |
| 501 | I | 98.4 | Very high | 96.9 | Very high | 14 Ų | 14 | 40.8 Ų | 40.8 | 7% | 0.072 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.3 | -51.9 | 179.8 | -61 | 172.1 | 0 | 0 | 0 | 110.5 | W46 I105 R106 L107 Y497 R499 S503 N504 | W46-I501 HydrophobicContact CB-CB 4.36Å; W46-I501 HydrophobicContact CB-CD1 4.12Å; W46-I501 HydrophobicContact CB-CG1 3.69Å; W46-I501 HydrophobicContact CB-CG2 3.98Å; W46-I501 HydrophobicContact CD2-CG1 4.19Å; W46-I501 HydrophobicContact CE3-CG1 4.5Å; W46-I501 HydrophobicContact CG-CB 4.29Å; W46-I501 HydrophobicContact CG-CG1 3.85Å; W46-I501 HydrophobicContact CG-CG2 4.1Å; I105-I501 HydrophobicContact CG1-CD1 4.5Å; R106-I501 HydrophobicContact CB-CG2 4.5Å; R106-I501 WeakPolarHBondContact O-CG2 3.31Å; L107-I501 HydrophobicContact CD2-CD1 3.84Å; Y497-I501 HydrophobicContact CD1-CD1 3.89Å; Y497-I501 HydrophobicContact CE1-CD1 3.74Å; Y497-I501 HydrophobicContact CE1-CG1 4.45Å; Y497-I501 HydrophobicContact CE2-CD1 4.48Å; Y497-I501 HydrophobicContact CE2-CG1 4.34Å; Y497-I501 HydrophobicContact CG-CD1 4.32Å; Y497-I501 VanDerWaalsContact O-CG1 3.32Å; Y497-I501 WeakPolarHBondContact O-CG1 3.24Å; Y497-I501 PolarHBondContact O-N 3.28Å; R499-I501 VanDerWaalsContact C-N 3.34Å; I501-S503 PolarHBondContact O-N 3.26Å; I501-N504 PolarHBondContact O-N 2.92Å; I501-N504 VanDerWaalsContact O-N 3.08Å |
| 502 | S | 97.8 | Very high | 97 | Very high | 52 Ų | 52 | 40.7 Ų | 40.7 | 36% | 0.364 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64 | -28.6 | -177.1 | -61.6 | 0 | 0 | 0 | 0 | 113.2 | R106 K498 R499 | R106-S502 PolarHBondContact NH1-OG 2.86Å; R106-S502 VanDerWaalsContact NH1-OG 3.14Å; K498-S502 WeakPolarHBondContact O-CB 3.16Å; K498-S502 PolarHBondContact O-N 2.88Å; K498-S502 PolarHBondContact O-OG 3.33Å; R499-S502 PolarHBondContact O-N 3.3Å |
| 503 | S | 97.9 | Very high | 97 | Very high | 41 Ų | 41 | 45.5 Ų | 45.5 | 29% | 0.287 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -95.6 | -4 | 179 | -46.4 | 0 | 0 | 0 | 0 | 112.6 | R499 I500 I501 G505 W515 | R499-S503 VanDerWaalsContact O-CB 3.28Å; R499-S503 WeakPolarHBondContact O-CB 3.24Å; R499-S503 PolarHBondContact O-N 2.92Å; R499-S503 PolarHBondContact O-OG 3.47Å; I500-S503 CarbonylContact O-C 3.52Å; I500-S503 PolarHBondContact O-N 3.48Å; I501-S503 PolarHBondContact O-N 3.26Å; S503-G505 PolarHBondContact O-N 2.95Å; S503-W515 WeakPolarHBondContact OG-CH2 3.28Å; S503-W515 WeakPolarHBondContact OG-CZ2 3.28Å |
| 504 | N | 98.3 | Very high | 97 | Very high | 38 Ų | 38 | 47.7 Ų | 47.7 | 20% | 0.203 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.4 | 43.9 | -170.2 | -163.6 | 36.5 | 0 | 0 | 0 | 112.6 | T39 F40 P41 W46 I500 I501 | T39-N504 CarbonylContact C-O 3.54Å; T39-N504 VanDerWaalsContact CA-O 3.23Å; T39-N504 WeakPolarHBondContact CA-O 3.29Å; T39-N504 WeakPolarHBondContact CB-O 3.47Å; F40-N504 PolarHBondContact N-O 3.46Å; F40-N504 PolarHBondContact O-ND2 3.33Å; P41-N504 PolarHBondContact O-ND2 2.9Å; W46-N504 PolarHBondContact NE1-OD1 3.44Å; I500-N504 WeakPolarHBondContact O-CA 3.5Å; I500-N504 PolarHBondContact O-N 2.89Å; I501-N504 PolarHBondContact O-N 2.92Å; I501-N504 VanDerWaalsContact O-N 3.08Å |
| 505 | G | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 140.8 | -149.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | I500 S503 | I500-G505 PolarHBondContact O-N 3.29Å; I500-G505 VanDerWaalsContact O-N 3.09Å; S503-G505 PolarHBondContact O-N 2.95Å |
| 506 | F | 98 | Very high | 97 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 90 | -173.6 | -57 | -75.3 | 0 | 0 | 0 | 110.8 | F35 Y37 G38 K436 I439 N440 L443 I500 V512 | F35-F506 HydrophobicContact CE1-CB 3.93Å; F35-F506 HydrophobicContact CE1-CD1 4.33Å; F35-F506 HydrophobicContact CE1-CD2 4.4Å; F35-F506 AromaticContact CE1-CG 3.98Å; F35-F506 HydrophobicContact CE1-CG 3.98Å; F35-F506 HydrophobicContact CZ-CB 4.19Å; F35-F506 AromaticContact CZ-CD1 3.76Å; F35-F506 HydrophobicContact CZ-CD1 3.76Å; F35-F506 HydrophobicContact CZ-CD2 4.01Å; F35-F506 HydrophobicContact CZ-CE1 4.06Å; F35-F506 HydrophobicContact CZ-CE2 4.3Å; F35-F506 AromaticContact CZ-CG 3.72Å; F35-F506 HydrophobicContact CZ-CG 3.72Å; F35-F506 HydrophobicContact CZ-CZ 4.31Å; Y37-F506 CarbonylContact C-O 3.57Å; Y37-F506 VanDerWaalsContact C-O 3.32Å; Y37-F506 WeakPolarHBondContact CA-O 3.33Å; Y37-F506 WeakPolarHBondContact CB-O 3.45Å; Y37-F506 HydrophobicContact CD1-CB 4.26Å; G38-F506 PolarHBondContact N-O 2.84Å; G38-F506 PolarHBondContact O-N 3.14Å; K436-F506 HydrophobicContact CG-CE1 4.25Å; K436-F506 WeakPolarHBondContact O-CZ 3.39Å; I439-F506 HydrophobicContact CB-CE2 4.3Å; I439-F506 HydrophobicContact CB-CZ 4.02Å; I439-F506 HydrophobicContact CG2-CE2 3.79Å; I439-F506 HydrophobicContact CG2-CZ 3.81Å; N440-F506 HydrophobicContact CB-CE2 3.98Å; N440-F506 HydrophobicContact CB-CZ 4.46Å; N440-F506 WeakPolarHBondContact ND2-CD2 3.5Å; L443-F506 HydrophobicContact CD2-CD2 4.09Å; I500-F506 HydrophobicContact CD1-CE1 3.83Å; I500-F506 HydrophobicContact CD1-CZ 4.06Å; I500-F506 HydrophobicContact CG1-CE1 3.99Å; I500-F506 HydrophobicContact CG1-CZ 4.49Å; F506-V512 HydrophobicContact CB-CG2 4.06Å; F506-V512 HydrophobicContact CD1-CG1 4.44Å; F506-V512 HydrophobicContact CD1-CG2 3.93Å |
| 507 | P | 95.6 | Very high | 96.7 | Very high | 48 Ų | 48 | 58.2 Ų | 58.2 | 31% | 0.312 | 27% | 0.266 | S | S | . | . | trans | -65.8 | -45.3 | -168.2 | 23.8 | -34.3 | 0 | 0 | 0 | 114.2 | E511 W515 | P507-E511 VanDerWaalsContact CB-OE2 3.23Å; P507-E511 WeakPolarHBondContact CB-OE2 3.37Å; P507-E511 HydrophobicContact CG-CB 4.08Å; P507-E511 WeakPolarHBondContact CG-OE2 3.37Å; P507-W515 HydrophobicContact CG-CH2 3.75Å; P507-W515 HydrophobicContact CG-CZ2 3.8Å | ||
| 508 | N | 96.3 | Very high | 96.4 | Very high | 62 Ų | 62 | 62.8 Ų | 62.8 | 33% | 0.332 | 29% | 0.286 | S | S | . | . | trans | -163 | 168.1 | 173.6 | 58.6 | 76.1 | 0 | 0 | 0 | 110.7 | Y37 R510 E511 V512 | Y37-N508 VanDerWaalsContact CE1-C 3.45Å; N508-R510 PolarHBondContact O-N 3.29Å; N508-R510 PolarHBondContact OD1-N 2.9Å; N508-E511 PolarHBondContact ND2-OE2 3.17Å; N508-E511 PolarHBondContact O-N 2.94Å; N508-E511 PolarHBondContact OD1-N 3.36Å; N508-V512 WeakPolarHBondContact O-CG2 3.42Å; N508-V512 PolarHBondContact O-N 2.74Å | ||
| 509 | Q | 95.8 | Very high | 96.1 | Very high | 106 Ų | 106 | 60.8 Ų | 60.8 | 50% | 0.495 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -55.9 | -50.1 | -178.5 | -176.6 | 170.7 | 1.5 | 0 | 0 | 113.1 | Y37 E511 V512 E513 | Y37-Q509 HydrophobicContact CE1-CB 3.98Å; Y37-Q509 HydrophobicContact CE2-CB 4.09Å; Y37-Q509 VanDerWaalsContact CZ-CA 3.49Å; Y37-Q509 VanDerWaalsContact OH-CB 3.31Å; Y37-Q509 WeakPolarHBondContact OH-CB 3.09Å; Y37-Q509 WeakPolarHBondContact OH-CG 3.18Å; Q509-E511 VanDerWaalsContact C-N 3.33Å; Q509-E511 PolarHBondContact O-N 3.4Å; Q509-V512 PolarHBondContact O-N 3.3Å; Q509-E513 HydrophobicContact CG-CG 4.33Å; Q509-E513 WeakPolarHBondContact CG-OE1 3.29Å; Q509-E513 PolarHBondContact NE2-OE1 3.17Å; Q509-E513 WeakPolarHBondContact O-CB 3.21Å; Q509-E513 WeakPolarHBondContact O-CG 3.17Å; Q509-E513 PolarHBondContact O-N 3.49Å |
| 510 | R | 96.6 | Very high | 95.6 | Very high | 208 Ų | 208 | 56.7 Ų | 56.7 | 79% | 0.785 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -60.2 | -42.1 | -175.3 | -176.8 | -178 | 179.4 | -174.1 | 0.5 | 112.1 | N508 N514 | N508-R510 PolarHBondContact O-N 3.29Å; N508-R510 PolarHBondContact OD1-N 2.9Å; R510-N514 VanDerWaalsContact O-CB 3.29Å; R510-N514 WeakPolarHBondContact O-CB 3.44Å; R510-N514 PolarHBondContact O-N 3.44Å; R510-N514 VanDerWaalsContact O-N 3.07Å |
| 511 | E | 96.1 | Very high | 95 | Very high | 83 Ų | 83 | 61.8 Ų | 61.8 | 39% | 0.388 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.1 | -45.7 | 178.6 | -75.1 | -174.4 | 128.6 | 0 | 0 | 112 | P507 N508 Q509 E513 N514 W515 | P507-E511 VanDerWaalsContact CB-OE2 3.23Å; P507-E511 WeakPolarHBondContact CB-OE2 3.37Å; P507-E511 HydrophobicContact CG-CB 4.08Å; P507-E511 WeakPolarHBondContact CG-OE2 3.37Å; N508-E511 PolarHBondContact ND2-OE2 3.17Å; N508-E511 PolarHBondContact O-N 2.94Å; N508-E511 PolarHBondContact OD1-N 3.36Å; Q509-E511 VanDerWaalsContact C-N 3.33Å; Q509-E511 PolarHBondContact O-N 3.4Å; E511-E513 VanDerWaalsContact C-N 3.34Å; E511-E513 PolarHBondContact O-N 3.47Å; E511-N514 WeakPolarHBondContact O-CB 3.34Å; E511-N514 PolarHBondContact O-N 3.31Å; E511-N514 VanDerWaalsContact O-N 3.16Å; E511-W515 HydrophobicContact CB-CZ2 4.32Å; E511-W515 PolarHBondContact O-N 3.18Å; E511-W515 PolarHBondContact O-NE1 3.29Å |
| 512 | V | 96.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 179.4 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | Y37 K436 F496 F506 N508 Q509 W515 R516 | Y37-V512 HydrophobicContact CE1-CG2 4.39Å; K436-V512 HydrophobicContact CD-CG1 4.27Å; F496-V512 HydrophobicContact CE2-CG1 4.16Å; F496-V512 HydrophobicContact CZ-CG1 3.99Å; F506-V512 HydrophobicContact CB-CG2 4.06Å; F506-V512 HydrophobicContact CD1-CG1 4.44Å; F506-V512 HydrophobicContact CD1-CG2 3.93Å; N508-V512 WeakPolarHBondContact O-CG2 3.42Å; N508-V512 PolarHBondContact O-N 2.74Å; Q509-V512 PolarHBondContact O-N 3.3Å; V512-W515 HydrophobicContact CG2-CE3 4.27Å; V512-W515 HydrophobicContact CG2-CZ3 4.1Å; V512-W515 PolarHBondContact O-N 3.05Å; V512-R516 PolarHBondContact O-N 2.73Å; V512-R516 VanDerWaalsContact O-N 3.12Å |
| 513 | E | 94.6 | Very high | 93.4 | Very high | 101 Ų | 101 | 62.9 Ų | 62.9 | 47% | 0.472 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 174.7 | -72.8 | 171.7 | 179.9 | 0 | 0 | 112 | Q509 E511 W515 R516 R517 | Q509-E513 HydrophobicContact CG-CG 4.33Å; Q509-E513 WeakPolarHBondContact CG-OE1 3.29Å; Q509-E513 PolarHBondContact NE2-OE1 3.17Å; Q509-E513 WeakPolarHBondContact O-CB 3.21Å; Q509-E513 WeakPolarHBondContact O-CG 3.17Å; Q509-E513 PolarHBondContact O-N 3.49Å; E511-E513 VanDerWaalsContact C-N 3.34Å; E511-E513 PolarHBondContact O-N 3.47Å; E513-W515 VanDerWaalsContact C-N 3.33Å; E513-W515 PolarHBondContact O-N 2.85Å; E513-R516 PolarHBondContact O-N 2.99Å; E513-R517 PolarHBondContact O-N 2.9Å |
| 514 | N | 95.9 | Very high | 92.4 | Very high | 48 Ų | 48 | 63.8 Ų | 63.8 | 26% | 0.257 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.5 | -36.8 | 176.1 | -172.4 | 33.8 | 0 | 0 | 0 | 112.2 | R510 E511 R517 K518 | R510-N514 VanDerWaalsContact O-CB 3.29Å; R510-N514 WeakPolarHBondContact O-CB 3.44Å; R510-N514 PolarHBondContact O-N 3.44Å; R510-N514 VanDerWaalsContact O-N 3.07Å; E511-N514 WeakPolarHBondContact O-CB 3.34Å; E511-N514 PolarHBondContact O-N 3.31Å; E511-N514 VanDerWaalsContact O-N 3.16Å; N514-R517 PolarHBondContact OD1-NH2 2.64Å; N514-K518 WeakPolarHBondContact O-CB 3.47Å; N514-K518 WeakPolarHBondContact O-CG 3.19Å; N514-K518 PolarHBondContact O-N 2.78Å |
| 515 | W | 96.4 | Very high | 91.1 | Very high | 23 Ų | 23 | 65.1 Ų | 65.1 | 9% | 0.087 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 174.9 | -59 | -13.9 | 0 | 0 | 0 | 111.5 | F496 R499 I500 S503 P507 E511 V512 E513 K518 A519 | F496-W515 HydrophobicContact CD2-CB 3.91Å; F496-W515 HydrophobicContact CE2-CB 4.07Å; F496-W515 HydrophobicContact CE2-CE3 4.42Å; R499-W515 HydrophobicContact CB-CB 4.36Å; R499-W515 HydrophobicContact CB-CD2 3.46Å; R499-W515 VanDerWaalsContact CB-CD2 3.46Å; R499-W515 HydrophobicContact CB-CE3 3.57Å; R499-W515 HydrophobicContact CB-CG 3.82Å; R499-W515 HydrophobicContact CB-CH2 4.37Å; R499-W515 HydrophobicContact CB-CZ2 4.32Å; R499-W515 HydrophobicContact CB-CZ3 4.03Å; R499-W515 HydrophobicContact CG-CB 4.27Å; R499-W515 HydrophobicContact CG-CD2 4.05Å; R499-W515 HydrophobicContact CG-CG 3.87Å; I500-W515 HydrophobicContact CG1-CZ3 4.47Å; S503-W515 WeakPolarHBondContact OG-CH2 3.28Å; S503-W515 WeakPolarHBondContact OG-CZ2 3.28Å; P507-W515 HydrophobicContact CG-CH2 3.75Å; P507-W515 HydrophobicContact CG-CZ2 3.8Å; E511-W515 HydrophobicContact CB-CZ2 4.32Å; E511-W515 PolarHBondContact O-N 3.18Å; E511-W515 PolarHBondContact O-NE1 3.29Å; V512-W515 HydrophobicContact CG2-CE3 4.27Å; V512-W515 HydrophobicContact CG2-CZ3 4.1Å; V512-W515 PolarHBondContact O-N 3.05Å; E513-W515 VanDerWaalsContact C-N 3.33Å; E513-W515 PolarHBondContact O-N 2.85Å; W515-K518 PolarHBondContact O-N 3.32Å; W515-A519 WeakPolarHBondContact O-CB 3.34Å; W515-A519 PolarHBondContact O-N 2.6Å |
| 516 | R | 93.9 | Very high | 90 | Very high | 89 Ų | 89 | 66.4 Ų | 66.4 | 34% | 0.336 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.6 | -52.1 | 176 | 178.4 | 178.7 | 172.6 | 179.7 | -3.2 | 110.7 | E429 I432 F496 V512 E513 K518 A519 V520 | E429-R516 IonicContact OE2-CZ 3.43Å; E429-R516 IonicContact OE2-NE 3.27Å; E429-R516 PolarHBondContact OE2-NE 3.42Å; E429-R516 IonicContact OE2-NH2 2.72Å; E429-R516 PolarHBondContact OE2-NH2 2.94Å; I432-R516 HydrophobicContact CG2-CG 4.24Å; F496-R516 HydrophobicContact CD2-CB 4.36Å; F496-R516 HydrophobicContact CE2-CB 4.21Å; V512-R516 PolarHBondContact O-N 2.73Å; V512-R516 VanDerWaalsContact O-N 3.12Å; E513-R516 PolarHBondContact O-N 2.99Å; R516-K518 PolarHBondContact O-N 3.4Å; R516-A519 WeakPolarHBondContact O-CB 3.5Å; R516-A519 PolarHBondContact O-N 3.15Å; R516-A519 VanDerWaalsContact O-N 3.16Å; R516-V520 WeakPolarHBondContact O-CG2 3.47Å; R516-V520 PolarHBondContact O-N 2.77Å |
| 517 | R | 92 | Very high | 89 | Confident | 148 Ų | 148 | 68.6 Ų | 68.6 | 56% | 0.558 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -56 | -48.6 | 179.3 | -177.6 | -177.8 | 59.2 | -171.4 | -3.8 | 112.1 | E513 N514 A519 V520 E521 | E513-R517 PolarHBondContact O-N 2.9Å; N514-R517 PolarHBondContact OD1-NH2 2.64Å; R517-A519 VanDerWaalsContact C-N 3.32Å; R517-A519 PolarHBondContact O-N 3.08Å; R517-V520 PolarHBondContact O-N 3.18Å; R517-E521 HydrophobicContact CG-CG 4.48Å; R517-E521 WeakPolarHBondContact CG-OE1 3.43Å; R517-E521 IonicContact NE-OE1 3.95Å; R517-E521 WeakPolarHBondContact O-CG 3.46Å; R517-E521 PolarHBondContact O-N 3.21Å |
| 518 | K | 92.3 | Very high | 87.9 | Confident | 97 Ų | 97 | 73 Ų | 73 | 42% | 0.422 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63 | -36.6 | 178.9 | -74.2 | -178.2 | 177.9 | -171.3 | 0 | 113 | N514 W515 R516 V520 M522 | N514-K518 WeakPolarHBondContact O-CB 3.47Å; N514-K518 WeakPolarHBondContact O-CG 3.19Å; N514-K518 PolarHBondContact O-N 2.78Å; W515-K518 PolarHBondContact O-N 3.32Å; R516-K518 PolarHBondContact O-N 3.4Å; K518-V520 VanDerWaalsContact C-N 3.32Å; K518-M522 VanDerWaalsContact O-CG 3.28Å; K518-M522 WeakPolarHBondContact O-CG 3.19Å; K518-M522 PolarHBondContact O-N 3.35Å |
| 519 | A | 92.3 | Very high | 86.6 | Confident | 1 Ų | 1 | 75.5 Ų | 75.5 | 1% | 0.008 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I432 A492 Q495 F496 W515 R516 R517 C523 | I432-A519 HydrophobicContact CD1-CB 3.86Å; A492-A519 HydrophobicContact CB-CB 4.26Å; A492-A519 WeakPolarHBondContact O-CB 3.45Å; Q495-A519 HydrophobicContact CB-CB 4.07Å; F496-A519 HydrophobicContact CB-CB 4.49Å; W515-A519 WeakPolarHBondContact O-CB 3.34Å; W515-A519 PolarHBondContact O-N 2.6Å; R516-A519 WeakPolarHBondContact O-CB 3.5Å; R516-A519 PolarHBondContact O-N 3.15Å; R516-A519 VanDerWaalsContact O-N 3.16Å; R517-A519 VanDerWaalsContact C-N 3.32Å; R517-A519 PolarHBondContact O-N 3.08Å; A519-C523 PolarHBondContact O-N 3.18Å |
| 520 | V | 86.8 | Confident | 85.5 | Confident | 29 Ų | 29 | 70.9 Ų | 70.9 | 18% | 0.176 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.3 | -43.3 | 178.8 | 178.3 | 0 | 0 | 0 | 0 | 111.9 | E429 R516 R517 K518 M522 C523 S524 | E429-V520 VanDerWaalsContact CD-CG2 3.46Å; E429-V520 HydrophobicContact CG-CG2 3.35Å; E429-V520 WeakPolarHBondContact OE1-CG1 3.3Å; E429-V520 WeakPolarHBondContact OE1-CG2 3.45Å; R516-V520 WeakPolarHBondContact O-CG2 3.47Å; R516-V520 PolarHBondContact O-N 2.77Å; R517-V520 PolarHBondContact O-N 3.18Å; K518-V520 VanDerWaalsContact C-N 3.32Å; V520-M522 VanDerWaalsContact C-N 3.34Å; V520-M522 PolarHBondContact O-N 3.21Å; V520-C523 PolarHBondContact O-N 3.08Å; V520-S524 PolarHBondContact O-N 3.43Å; V520-S524 PolarHBondContact O-OG 3.12Å |
| 521 | E | 85.9 | Confident | 84.4 | Confident | 108 Ų | 108 | 63 Ų | 63 | 51% | 0.505 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.9 | -45.7 | 175.3 | -74 | 169.7 | -178.6 | 0 | 0 | 111.5 | R517 S524 | R517-E521 HydrophobicContact CG-CG 4.48Å; R517-E521 WeakPolarHBondContact CG-OE1 3.43Å; R517-E521 IonicContact NE-OE1 3.95Å; R517-E521 WeakPolarHBondContact O-CG 3.46Å; R517-E521 PolarHBondContact O-N 3.21Å; E521-S524 PolarHBondContact O-N 3.21Å |
| 522 | M | 81.1 | Confident | 83.1 | Confident | 85 Ų | 85 | 60.8 Ų | 60.8 | 42% | 0.419 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -71 | -35.3 | -179.7 | -67.8 | -175.6 | -30.3 | 0 | 0 | 112.8 | Q495 K518 V520 S524 S525 S526 | Q495-M522 HydrophobicContact CB-CE 3.6Å; Q495-M522 HydrophobicContact CG-CE 3.19Å; K518-M522 VanDerWaalsContact O-CG 3.28Å; K518-M522 WeakPolarHBondContact O-CG 3.19Å; K518-M522 PolarHBondContact O-N 3.35Å; V520-M522 VanDerWaalsContact C-N 3.34Å; V520-M522 PolarHBondContact O-N 3.21Å; M522-S524 VanDerWaalsContact C-N 3.25Å; M522-S524 PolarHBondContact O-N 3.02Å; M522-S525 PolarHBondContact O-N 3.24Å; M522-S526 PolarHBondContact O-N 3.33Å |
| 523 | C | 82.8 | Confident | 81.9 | Confident | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.02 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.1 | -38.8 | 175.7 | 162 | 0 | 0 | 0 | 0 | 112.4 | L426 C427 A492 A519 V520 S525 S526 N527 | L426-C523 PolarHBondContact O-SG 2.81Å; C427-C523 WeakPolarHBondContact CA-SG 3.43Å; C427-C523 HydrophobicContact CB-CB 4.08Å; C427-C523 WeakPolarHBondContact CB-SG 3.46Å; C427-C523 PolarHBondContact N-SG 2.93Å; C427-C523 WeakPolarHBondContact SG-CB 3.45Å; C427-C523 CovalentContact SG-SG 2.04Å; C427-C523 PolarHBondContact SG-SG 3.03Å; A492-C523 HydrophobicContact CB-CB 3.86Å; A519-C523 PolarHBondContact O-N 3.18Å; V520-C523 PolarHBondContact O-N 3.08Å; C523-S525 PolarHBondContact O-N 3.4Å; C523-S525 VanDerWaalsContact O-N 3.16Å; C523-S526 WeakPolarHBondContact O-CA 3.45Å; C523-S526 WeakPolarHBondContact O-CB 3.16Å; C523-S526 PolarHBondContact O-N 2.89Å; C523-N527 PolarHBondContact O-N 3.35Å |
| 524 | S | 75.9 | Confident | 80.6 | Confident | 60 Ų | 60 | 63.7 Ų | 63.7 | 42% | 0.42 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.3 | -35.9 | -179.7 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | V520 E521 M522 Q528 | V520-S524 PolarHBondContact O-N 3.43Å; V520-S524 PolarHBondContact O-OG 3.12Å; E521-S524 PolarHBondContact O-N 3.21Å; M522-S524 VanDerWaalsContact C-N 3.25Å; M522-S524 PolarHBondContact O-N 3.02Å; S524-Q528 WeakPolarHBondContact O-CG 3.01Å; S524-Q528 PolarHBondContact O-N 3.47Å |
| 525 | S | 72.3 | Confident | 79.1 | Confident | 66 Ų | 66 | 68.2 Ų | 68.2 | 46% | 0.462 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -71.1 | -39.9 | 173.4 | -55.1 | 0 | 0 | 0 | 0 | 112.8 | M522 C523 N527 Q528 L529 | M522-S525 PolarHBondContact O-N 3.24Å; C523-S525 PolarHBondContact O-N 3.4Å; C523-S525 VanDerWaalsContact O-N 3.16Å; S525-N527 VanDerWaalsContact C-N 3.34Å; S525-N527 PolarHBondContact O-N 2.94Å; S525-Q528 WeakPolarHBondContact O-CB 3.45Å; S525-Q528 PolarHBondContact O-N 3.43Å; S525-L529 PolarHBondContact O-N 3.26Å; S525-L529 VanDerWaalsContact O-N 3.08Å |
| 526 | S | 72.6 | Confident | 77.5 | Confident | 27 Ų | 27 | 76.2 Ų | 76.2 | 19% | 0.189 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.9 | -40 | 174.9 | -60.1 | 0 | 0 | 0 | 0 | 112.3 | M522 C523 Q528 L529 L530 | M522-S526 PolarHBondContact O-N 3.33Å; C523-S526 WeakPolarHBondContact O-CA 3.45Å; C523-S526 WeakPolarHBondContact O-CB 3.16Å; C523-S526 PolarHBondContact O-N 2.89Å; S526-Q528 VanDerWaalsContact C-N 3.31Å; S526-Q528 PolarHBondContact O-N 3.29Å; S526-L529 WeakPolarHBondContact O-CB 3.41Å; S526-L529 PolarHBondContact O-N 2.96Å; S526-L530 PolarHBondContact O-N 3.27Å |
| 527 | N | 78.2 | Confident | 76 | Confident | 46 Ų | 46 | 74.7 Ų | 74.7 | 25% | 0.246 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 174.7 | -83.1 | -17.9 | 0 | 0 | 0 | 111.7 | L426 C427 C523 S525 L530 A531 | L426-N527 WeakPolarHBondContact CB-OD1 3.2Å; L426-N527 WeakPolarHBondContact CG-OD1 3.42Å; L426-N527 PolarHBondContact N-OD1 3.19Å; C427-N527 PolarHBondContact SG-ND2 2.76Å; C427-N527 VanDerWaalsContact SG-ND2 3.41Å; C523-N527 PolarHBondContact O-N 3.35Å; S525-N527 VanDerWaalsContact C-N 3.34Å; S525-N527 PolarHBondContact O-N 2.94Å; N527-L530 PolarHBondContact O-N 3.44Å; N527-A531 WeakPolarHBondContact O-CB 3.41Å; N527-A531 PolarHBondContact O-N 3.44Å |
| 528 | Q | 71.6 | Confident | 74.6 | Confident | 140 Ų | 140 | 71.5 Ų | 71.5 | 65% | 0.654 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -65.2 | -39.1 | 175.6 | -70.6 | 176.1 | -12.1 | 0 | 0 | 112.3 | S524 S525 S526 A532 | S524-Q528 WeakPolarHBondContact O-CG 3.01Å; S524-Q528 PolarHBondContact O-N 3.47Å; S525-Q528 WeakPolarHBondContact O-CB 3.45Å; S525-Q528 PolarHBondContact O-N 3.43Å; S526-Q528 VanDerWaalsContact C-N 3.31Å; S526-Q528 PolarHBondContact O-N 3.29Å; Q528-A532 WeakPolarHBondContact O-CB 3.35Å; Q528-A532 PolarHBondContact O-N 3.01Å |
| 529 | L | 69.4 | Low | 72.9 | Confident | 115 Ų | 115 | 69.1 Ų | 69.1 | 60% | 0.602 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.8 | -46.5 | 175.1 | -75.3 | 163.2 | 0 | 0 | 0 | 111.6 | S525 S526 A531 A532 E533 | S525-L529 PolarHBondContact O-N 3.26Å; S525-L529 VanDerWaalsContact O-N 3.08Å; S526-L529 WeakPolarHBondContact O-CB 3.41Å; S526-L529 PolarHBondContact O-N 2.96Å; L529-A531 PolarHBondContact O-N 3.27Å; L529-A532 PolarHBondContact O-N 3.39Å; L529-E533 PolarHBondContact O-N 3.18Å |
| 530 | L | 73.6 | Confident | 71.3 | Confident | 9 Ų | 9 | 71.5 Ų | 71.5 | 5% | 0.047 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 177.1 | -174 | 64.1 | 0 | 0 | 0 | 111.2 | T424 L426 Y478 Y489 S526 N527 A532 E533 E534 | T424-L530 HydrophobicContact CG2-CD2 3.71Å; L426-L530 HydrophobicContact CD1-CB 4.47Å; L426-L530 HydrophobicContact CD1-CD2 4.16Å; L426-L530 HydrophobicContact CG-CD2 4.33Å; Y478-L530 HydrophobicContact CD1-CD2 4.44Å; Y478-L530 HydrophobicContact CE1-CD1 4.43Å; Y478-L530 HydrophobicContact CE1-CD2 4.23Å; Y489-L530 HydrophobicContact CD1-CD1 4.31Å; Y489-L530 HydrophobicContact CD2-CD1 3.97Å; Y489-L530 HydrophobicContact CE1-CD1 4.01Å; Y489-L530 HydrophobicContact CE2-CD1 3.59Å; Y489-L530 HydrophobicContact CG-CD1 4.29Å; S526-L530 PolarHBondContact O-N 3.27Å; N527-L530 PolarHBondContact O-N 3.44Å; L530-A532 VanDerWaalsContact C-N 3.32Å; L530-A532 PolarHBondContact O-N 3.46Å; L530-E533 PolarHBondContact O-N 2.6Å; L530-E534 PolarHBondContact O-N 2.82Å |
| 531 | A | 73.6 | Confident | 69.8 | Low | 43 Ų | 43 | 74 Ų | 74 | 36% | 0.355 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.8 | -38.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N527 L529 E534 Q535 | N527-A531 WeakPolarHBondContact O-CB 3.41Å; N527-A531 PolarHBondContact O-N 3.44Å; L529-A531 PolarHBondContact O-N 3.27Å; A531-E534 PolarHBondContact O-N 2.79Å; A531-Q535 WeakPolarHBondContact O-CB 3.48Å; A531-Q535 WeakPolarHBondContact O-CG 3.43Å; A531-Q535 PolarHBondContact O-N 2.79Å |
| 532 | A | 68.9 | Low | 68.6 | Low | 37 Ų | 37 | 73.1 Ų | 73.1 | 31% | 0.306 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67 | -36.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q528 L529 L530 R536 | Q528-A532 WeakPolarHBondContact O-CB 3.35Å; Q528-A532 PolarHBondContact O-N 3.01Å; L529-A532 PolarHBondContact O-N 3.39Å; L530-A532 VanDerWaalsContact C-N 3.32Å; L530-A532 PolarHBondContact O-N 3.46Å; A532-R536 WeakPolarHBondContact O-CG 3.47Å; A532-R536 PolarHBondContact O-N 3.4Å |
| 533 | E | 69.6 | Low | 67.5 | Low | 90 Ų | 90 | 74.3 Ų | 74.3 | 42% | 0.421 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -70.2 | -40.6 | 174.8 | -74.9 | -174.6 | 160.7 | 0 | 0 | 112.4 | Y489 L529 L530 Q535 R536 S537 | Y489-E533 VanDerWaalsContact CE1-OE2 3.28Å; Y489-E533 WeakPolarHBondContact CE1-OE2 3.37Å; Y489-E533 VanDerWaalsContact CZ-OE2 3.24Å; Y489-E533 PolarHBondContact OH-OE2 3.16Å; L529-E533 PolarHBondContact O-N 3.18Å; L530-E533 PolarHBondContact O-N 2.6Å; E533-Q535 VanDerWaalsContact C-N 3.32Å; E533-Q535 PolarHBondContact O-N 3.44Å; E533-R536 PolarHBondContact O-N 3.25Å; E533-S537 WeakPolarHBondContact O-CB 3.43Å; E533-S537 PolarHBondContact O-N 3.2Å |
| 534 | E | 68.4 | Low | 66.1 | Low | 74 Ų | 74 | 82.2 Ų | 82.2 | 35% | 0.346 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60 | -42.2 | 172.3 | -75.2 | -170.7 | 157.3 | 0 | 0 | 111.6 | R482 L530 A531 S537 T538 | R482-E534 IonicContact CZ-OE1 3.32Å; R482-E534 IonicContact NH1-OE1 3.72Å; R482-E534 IonicContact NH2-OE1 2.89Å; R482-E534 PolarHBondContact NH2-OE1 3.34Å; L530-E534 PolarHBondContact O-N 2.82Å; A531-E534 PolarHBondContact O-N 2.79Å; E534-S537 PolarHBondContact O-N 2.92Å; E534-T538 WeakPolarHBondContact O-CB 3.03Å; E534-T538 PolarHBondContact O-N 2.71Å; E534-T538 PolarHBondContact O-OG1 3.43Å |
| 535 | Q | 63.9 | Low | 65.3 | Low | 142 Ų | 142 | 85.6 Ų | 85.6 | 66% | 0.664 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.4 | -43.1 | 174.8 | -77.3 | 179.3 | -5.8 | 0 | 0 | 112.3 | A531 E533 T538 A539 | A531-Q535 WeakPolarHBondContact O-CB 3.48Å; A531-Q535 WeakPolarHBondContact O-CG 3.43Å; A531-Q535 PolarHBondContact O-N 2.79Å; E533-Q535 VanDerWaalsContact C-N 3.32Å; E533-Q535 PolarHBondContact O-N 3.44Å; Q535-T538 PolarHBondContact O-N 3.25Å; Q535-A539 WeakPolarHBondContact O-CB 3.11Å; Q535-A539 PolarHBondContact O-N 3.13Å |
| 536 | R | 62.7 | Low | 64.8 | Low | 192 Ų | 192 | 87.2 Ų | 87.2 | 73% | 0.725 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64 | -42.2 | 175.8 | -77.1 | 177.4 | -177.8 | -179.6 | 2.1 | 112.1 | A532 E533 T538 A539 A540 | A532-R536 WeakPolarHBondContact O-CG 3.47Å; A532-R536 PolarHBondContact O-N 3.4Å; E533-R536 PolarHBondContact O-N 3.25Å; R536-T538 VanDerWaalsContact C-N 3.33Å; R536-A539 PolarHBondContact O-N 3.22Å; R536-A540 VanDerWaalsContact O-CB 3.3Å; R536-A540 WeakPolarHBondContact O-CB 3.33Å; R536-A540 PolarHBondContact O-N 2.89Å |
| 537 | S | 61.3 | Low | 64.1 | Low | 57 Ų | 57 | 91.2 Ų | 91.2 | 40% | 0.399 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 175.9 | -174.9 | 0 | 0 | 0 | 0 | 111.2 | E533 E534 A540 N541 | E533-S537 WeakPolarHBondContact O-CB 3.43Å; E533-S537 PolarHBondContact O-N 3.2Å; E534-S537 PolarHBondContact O-N 2.92Å; S537-A540 PolarHBondContact O-N 3.36Å; S537-N541 WeakPolarHBondContact O-CB 3.49Å; S537-N541 VanDerWaalsContact O-CG 3.23Å; S537-N541 PolarHBondContact O-N 3.34Å; S537-N541 PolarHBondContact O-ND2 3.24Å |
| 538 | T | 62.8 | Low | 63.2 | Low | 80 Ų | 80 | 94.1 Ų | 94.1 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64 | -45.9 | 176.7 | -55.9 | 0 | 0 | 0 | 0 | 111 | E534 Q535 R536 A540 N541 I542 | E534-T538 WeakPolarHBondContact O-CB 3.03Å; E534-T538 PolarHBondContact O-N 2.71Å; E534-T538 PolarHBondContact O-OG1 3.43Å; Q535-T538 PolarHBondContact O-N 3.25Å; R536-T538 VanDerWaalsContact C-N 3.33Å; T538-A540 PolarHBondContact O-N 3.05Å; T538-N541 PolarHBondContact O-N 3.03Å; T538-I542 HydrophobicContact CG2-CD1 3.97Å; T538-I542 VanDerWaalsContact O-CG1 3.29Å; T538-I542 WeakPolarHBondContact O-CG1 3.23Å; T538-I542 PolarHBondContact O-N 2.91Å |
| 539 | A | 57.3 | Low | 62.8 | Low | 48 Ų | 48 | 90.6 Ų | 90.6 | 40% | 0.397 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q535 R536 I542 L543 | Q535-A539 WeakPolarHBondContact O-CB 3.11Å; Q535-A539 PolarHBondContact O-N 3.13Å; R536-A539 PolarHBondContact O-N 3.22Å; A539-I542 PolarHBondContact O-N 3.15Å; A539-L543 WeakPolarHBondContact O-CB 3.41Å; A539-L543 PolarHBondContact O-N 2.96Å |
| 540 | A | 58.1 | Low | 62.3 | Low | 51 Ų | 51 | 89.8 Ų | 89.8 | 42% | 0.421 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65 | -38.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R536 S537 T538 L543 R544 | R536-A540 VanDerWaalsContact O-CB 3.3Å; R536-A540 WeakPolarHBondContact O-CB 3.33Å; R536-A540 PolarHBondContact O-N 2.89Å; S537-A540 PolarHBondContact O-N 3.36Å; T538-A540 PolarHBondContact O-N 3.05Å; A540-L543 PolarHBondContact O-N 3.04Å; A540-R544 PolarHBondContact O-N 3.4Å |
| 541 | N | 56.7 | Low | 61.7 | Low | 81 Ų | 81 | 91.9 Ų | 91.9 | 43% | 0.433 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68 | -41.6 | 175.4 | -74.1 | -18.8 | 0 | 0 | 0 | 111.8 | S537 T538 L543 R544 L545 | S537-N541 WeakPolarHBondContact O-CB 3.49Å; S537-N541 VanDerWaalsContact O-CG 3.23Å; S537-N541 PolarHBondContact O-N 3.34Å; S537-N541 PolarHBondContact O-ND2 3.24Å; T538-N541 PolarHBondContact O-N 3.03Å; N541-L543 VanDerWaalsContact C-N 3.35Å; N541-R544 PolarHBondContact O-N 2.76Å; N541-L545 WeakPolarHBondContact O-CB 3.21Å; N541-L545 WeakPolarHBondContact O-CD1 3.19Å; N541-L545 WeakPolarHBondContact O-CG 3.41Å; N541-L545 PolarHBondContact O-N 3.37Å |
| 542 | I | 61.1 | Low | 60.9 | Low | 90 Ų | 90 | 92.9 Ų | 92.9 | 46% | 0.462 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 172.9 | -69.7 | 167.3 | 0 | 0 | 0 | 110.1 | T538 A539 R544 L545 I546 | T538-I542 HydrophobicContact CG2-CD1 3.97Å; T538-I542 VanDerWaalsContact O-CG1 3.29Å; T538-I542 WeakPolarHBondContact O-CG1 3.23Å; T538-I542 PolarHBondContact O-N 2.91Å; A539-I542 PolarHBondContact O-N 3.15Å; I542-R544 PolarHBondContact O-N 3.03Å; I542-L545 PolarHBondContact O-N 2.76Å; I542-I546 HydrophobicContact CG2-CD1 3.66Å; I542-I546 HydrophobicContact CG2-CG1 4.44Å; I542-I546 VanDerWaalsContact O-CG1 3.25Å; I542-I546 WeakPolarHBondContact O-CG1 3.35Å; I542-I546 PolarHBondContact O-N 2.87Å |
| 543 | L | 56.3 | Low | 60.7 | Low | 110 Ų | 110 | 96.5 Ų | 96.5 | 58% | 0.576 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.9 | -43.7 | 176.5 | -111.4 | 115.6 | 0 | 0 | 0 | 111.7 | A539 A540 N541 I546 H547 | A539-L543 WeakPolarHBondContact O-CB 3.41Å; A539-L543 PolarHBondContact O-N 2.96Å; A540-L543 PolarHBondContact O-N 3.04Å; N541-L543 VanDerWaalsContact C-N 3.35Å; L543-I546 PolarHBondContact O-N 3.31Å; L543-H547 VanDerWaalsContact O-CB 3.23Å; L543-H547 WeakPolarHBondContact O-CB 3.43Å; L543-H547 PolarHBondContact O-N 3.47Å |
| 544 | R | 54.7 | Low | 60.4 | Low | 169 Ų | 169 | 98.4 Ų | 98.4 | 64% | 0.638 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.7 | -44.7 | 174.9 | -78.5 | -177.5 | 175.6 | 174.4 | -1.2 | 112.7 | A540 N541 I542 I546 H547 D548 | A540-R544 PolarHBondContact O-N 3.4Å; N541-R544 PolarHBondContact O-N 2.76Å; I542-R544 PolarHBondContact O-N 3.03Å; R544-I546 PolarHBondContact O-N 3.18Å; R544-H547 PolarHBondContact O-N 3.36Å; R544-D548 WeakPolarHBondContact O-CB 3.39Å; R544-D548 PolarHBondContact O-N 2.95Å |
| 545 | L | 57.8 | Low | 60.1 | Low | 131 Ų | 131 | 100.1 Ų | 100.1 | 69% | 0.686 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.7 | -29 | 175.8 | -81.7 | 158.3 | 0 | 0 | 0 | 113 | N541 I542 P549 | N541-L545 WeakPolarHBondContact O-CB 3.21Å; N541-L545 WeakPolarHBondContact O-CD1 3.19Å; N541-L545 WeakPolarHBondContact O-CG 3.41Å; N541-L545 PolarHBondContact O-N 3.37Å; I542-L545 PolarHBondContact O-N 2.76Å; L545-P549 WeakPolarHBondContact O-CD 3.35Å; L545-P549 VanDerWaalsContact O-CG 3.25Å; L545-P549 WeakPolarHBondContact O-CG 3.45Å |
| 546 | I | 61.5 | Low | 60.4 | Low | 99 Ų | 99 | 97.7 Ų | 97.7 | 51% | 0.508 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -85.2 | -42.6 | 176 | -65 | 166.6 | 0 | 0 | 0 | 111 | I542 L543 R544 L550 | I542-I546 HydrophobicContact CG2-CD1 3.66Å; I542-I546 HydrophobicContact CG2-CG1 4.44Å; I542-I546 VanDerWaalsContact O-CG1 3.25Å; I542-I546 WeakPolarHBondContact O-CG1 3.35Å; I542-I546 PolarHBondContact O-N 2.87Å; L543-I546 PolarHBondContact O-N 3.31Å; R544-I546 PolarHBondContact O-N 3.18Å; I546-L550 HydrophobicContact CG2-CD1 3.87Å; I546-L550 WeakPolarHBondContact O-CD1 3.37Å |
| 547 | H | 59.5 | Low | 60.6 | Low | 112 Ų | 112 | 91.9 Ų | 91.9 | 52% | 0.519 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -77.5 | -37.2 | -171 | -145.5 | -51.8 | 0 | 0 | 0 | 112.8 | L543 R544 L550 T551 | L543-H547 VanDerWaalsContact O-CB 3.23Å; L543-H547 WeakPolarHBondContact O-CB 3.43Å; L543-H547 PolarHBondContact O-N 3.47Å; R544-H547 PolarHBondContact O-N 3.36Å; H547-L550 PolarHBondContact O-N 3.19Å; H547-T551 PolarHBondContact ND1-OG1 3.22Å; H547-T551 VanDerWaalsContact ND1-OG1 3.09Å; H547-T551 WeakPolarHBondContact O-CB 3.4Å; H547-T551 PolarHBondContact O-N 2.91Å; H547-T551 PolarHBondContact O-OG1 3.49Å |
| 548 | D | 59.2 | Low | 61 | Low | 107 Ų | 107 | 93.5 Ų | 93.5 | 57% | 0.572 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.5 | -45.7 | -177.1 | -67.8 | -15 | 0 | 0 | 0 | 112.1 | R544 L550 T551 S552 | R544-D548 WeakPolarHBondContact O-CB 3.39Å; R544-D548 PolarHBondContact O-N 2.95Å; D548-L550 PolarHBondContact O-N 3.29Å; D548-T551 PolarHBondContact O-N 3.48Å; D548-S552 PolarHBondContact O-N 3.38Å; D548-S552 VanDerWaalsContact O-N 3.09Å |
| 549 | P | 62.4 | Low | 61.4 | Low | 65 Ų | 65 | 96.7 Ų | 96.7 | 42% | 0.422 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.5 | -37.3 | 174.2 | -20.7 | 33 | 0 | 0 | 0 | 113.1 | L545 S552 H553 | L545-P549 WeakPolarHBondContact O-CD 3.35Å; L545-P549 VanDerWaalsContact O-CG 3.25Å; L545-P549 WeakPolarHBondContact O-CG 3.45Å; P549-S552 PolarHBondContact O-N 3.34Å; P549-H553 WeakPolarHBondContact O-CB 3.47Å; P549-H553 PolarHBondContact O-N 2.81Å; P549-H553 PolarHBondContact O-ND1 2.96Å |
| 550 | L | 60.2 | Low | 62.1 | Low | 98 Ų | 98 | 99.2 Ų | 99.2 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 178.6 | -99.9 | 155.2 | 0 | 0 | 0 | 111.7 | I546 H547 D548 H553 M554 | I546-L550 HydrophobicContact CG2-CD1 3.87Å; I546-L550 WeakPolarHBondContact O-CD1 3.37Å; H547-L550 PolarHBondContact O-N 3.19Å; D548-L550 PolarHBondContact O-N 3.29Å; L550-H553 PolarHBondContact O-N 3.46Å; L550-M554 WeakPolarHBondContact O-CB 3.37Å; L550-M554 WeakPolarHBondContact O-CG 3.44Å; L550-M554 PolarHBondContact O-N 3.45Å |
| 551 | T | 59.5 | Low | 62.7 | Low | 54 Ų | 54 | 100 Ų | 100 | 33% | 0.331 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.2 | -45.2 | 177.7 | -43.9 | 0 | 0 | 0 | 0 | 110.3 | H547 D548 H553 M554 E555 | H547-T551 PolarHBondContact ND1-OG1 3.22Å; H547-T551 VanDerWaalsContact ND1-OG1 3.09Å; H547-T551 WeakPolarHBondContact O-CB 3.4Å; H547-T551 PolarHBondContact O-N 2.91Å; H547-T551 PolarHBondContact O-OG1 3.49Å; D548-T551 PolarHBondContact O-N 3.48Å; T551-H553 VanDerWaalsContact C-N 3.34Å; T551-H553 PolarHBondContact O-N 2.78Å; T551-M554 PolarHBondContact O-N 2.93Å; T551-E555 WeakPolarHBondContact O-CG 3.42Å; T551-E555 PolarHBondContact O-N 3.42Å |
| 552 | S | 58 | Low | 63.7 | Low | 63 Ų | 63 | 99.8 Ų | 99.8 | 44% | 0.441 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.4 | -37.4 | 174.9 | -179.2 | 0 | 0 | 0 | 0 | 113 | D548 P549 M556 | D548-S552 PolarHBondContact O-N 3.38Å; D548-S552 VanDerWaalsContact O-N 3.09Å; P549-S552 PolarHBondContact O-N 3.34Å; S552-M556 WeakPolarHBondContact O-CB 3.36Å; S552-M556 PolarHBondContact O-N 3Å |
| 553 | H | 64.5 | Low | 64.4 | Low | 114 Ų | 114 | 98.3 Ų | 98.3 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.2 | -40.3 | 173.6 | -82.4 | 73.7 | 0 | 0 | 0 | 112.2 | P549 L550 T551 M556 V557 | P549-H553 WeakPolarHBondContact O-CB 3.47Å; P549-H553 PolarHBondContact O-N 2.81Å; P549-H553 PolarHBondContact O-ND1 2.96Å; L550-H553 PolarHBondContact O-N 3.46Å; T551-H553 VanDerWaalsContact C-N 3.34Å; T551-H553 PolarHBondContact O-N 2.78Å; H553-M556 PolarHBondContact O-N 3.2Å; H553-V557 WeakPolarHBondContact O-CB 3.45Å; H553-V557 VanDerWaalsContact O-CG2 3.26Å; H553-V557 WeakPolarHBondContact O-CG2 3.41Å; H553-V557 PolarHBondContact O-N 3.15Å |
| 554 | M | 63.1 | Low | 65.5 | Low | 129 Ų | 129 | 97 Ų | 97 | 64% | 0.635 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.1 | -39.5 | 177.4 | -75.1 | -173.3 | 69 | 0 | 0 | 112.2 | L550 T551 V557 T558 | L550-M554 WeakPolarHBondContact O-CB 3.37Å; L550-M554 WeakPolarHBondContact O-CG 3.44Å; L550-M554 PolarHBondContact O-N 3.45Å; T551-M554 PolarHBondContact O-N 2.93Å; M554-V557 PolarHBondContact O-N 2.86Å; M554-T558 PolarHBondContact O-N 3.48Å; M554-T558 PolarHBondContact O-OG1 3.31Å |
| 555 | E | 62.2 | Low | 66.7 | Low | 110 Ų | 110 | 92.9 Ų | 92.9 | 51% | 0.514 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -47 | 172.4 | -74.5 | 176.2 | 168.4 | 0 | 0 | 111.2 | T551 V557 T558 E559 | T551-E555 WeakPolarHBondContact O-CG 3.42Å; T551-E555 PolarHBondContact O-N 3.42Å; E555-V557 VanDerWaalsContact C-N 3.31Å; E555-V557 PolarHBondContact O-N 3.41Å; E555-T558 WeakPolarHBondContact CA-OG1 3.3Å; E555-T558 PolarHBondContact O-N 3.5Å; E555-T558 PolarHBondContact O-OG1 2.84Å; E555-E559 WeakPolarHBondContact O-CB 3.47Å; E555-E559 WeakPolarHBondContact O-CG 3.31Å; E555-E559 PolarHBondContact O-N 3.05Å |
| 556 | M | 68.8 | Low | 67.6 | Low | 91 Ų | 91 | 89.9 Ų | 89.9 | 45% | 0.448 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.7 | -41.5 | 175.9 | -170.4 | -161.9 | -53.9 | 0 | 0 | 112.5 | S552 H553 I560 V561 | S552-M556 WeakPolarHBondContact O-CB 3.36Å; S552-M556 PolarHBondContact O-N 3Å; H553-M556 PolarHBondContact O-N 3.2Å; M556-I560 HydrophobicContact CG-CD1 4.11Å; M556-I560 VanDerWaalsContact O-CB 3.3Å; M556-I560 WeakPolarHBondContact O-CB 3.44Å; M556-I560 PolarHBondContact O-N 2.95Å; M556-V561 PolarHBondContact O-N 3.49Å |
| 557 | V | 67.4 | Low | 68.5 | Low | 71 Ų | 71 | 88.9 Ų | 88.9 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | I | π-helix | trans | -66.3 | -43.8 | 178.3 | 169.5 | 0 | 0 | 0 | 0 | 111.3 | H553 M554 E555 V561 V562 | H553-V557 WeakPolarHBondContact O-CB 3.45Å; H553-V557 VanDerWaalsContact O-CG2 3.26Å; H553-V557 WeakPolarHBondContact O-CG2 3.41Å; H553-V557 PolarHBondContact O-N 3.15Å; M554-V557 PolarHBondContact O-N 2.86Å; E555-V557 VanDerWaalsContact C-N 3.31Å; E555-V557 PolarHBondContact O-N 3.41Å; V557-V561 HydrophobicContact CG2-CG2 4.49Å; V557-V561 WeakPolarHBondContact O-CB 3.24Å; V557-V561 PolarHBondContact O-N 2.96Å; V557-V562 HydrophobicContact CG1-CG2 4.48Å; V557-V562 WeakPolarHBondContact O-CG2 3.03Å; V557-V562 PolarHBondContact O-N 3.24Å |
| 558 | T | 70.2 | Confident | 69.6 | Low | 90 Ų | 90 | 88.5 Ų | 88.5 | 55% | 0.552 | 49% | 0.492 | S | S | * | . | I | π-helix | trans | -74.3 | -38.4 | -177.6 | 40.4 | 0 | 0 | 0 | 0 | 113.2 | M554 E555 P563 | M554-T558 PolarHBondContact O-N 3.48Å; M554-T558 PolarHBondContact O-OG1 3.31Å; E555-T558 WeakPolarHBondContact CA-OG1 3.3Å; E555-T558 PolarHBondContact O-N 3.5Å; E555-T558 PolarHBondContact O-OG1 2.84Å; T558-P563 WeakPolarHBondContact O-CD 3.15Å |
| 559 | E | 71.5 | Confident | 70.6 | Confident | 148 Ų | 148 | 86.2 Ų | 86.2 | 69% | 0.692 | 49% | 0.485 | S | S | * | . | I | π-helix | trans | -88.2 | -29 | -176.1 | -65.1 | -167.1 | 163.3 | 0 | 0 | 114 | E555 P563 | E555-E559 WeakPolarHBondContact O-CB 3.47Å; E555-E559 WeakPolarHBondContact O-CG 3.31Å; E555-E559 PolarHBondContact O-N 3.05Å; E559-P563 WeakPolarHBondContact O-CG 3.45Å |
| 560 | I | 71.4 | Confident | 71.7 | Confident | 101 Ų | 101 | 88.8 Ų | 88.8 | 52% | 0.518 | 49% | 0.494 | S | S | . | . | I | π-helix | trans | -113.1 | -54.9 | -173.6 | -53.8 | 179.9 | 0 | 0 | 0 | 111.2 | M556 T564 | M556-I560 HydrophobicContact CG-CD1 4.11Å; M556-I560 VanDerWaalsContact O-CB 3.3Å; M556-I560 WeakPolarHBondContact O-CB 3.44Å; M556-I560 PolarHBondContact O-N 2.95Å; I560-T564 VanDerWaalsContact O-CB 3.31Å; I560-T564 WeakPolarHBondContact O-CB 3.29Å; I560-T564 PolarHBondContact O-N 3.01Å; I560-T564 PolarHBondContact O-OG1 3.49Å |
| 561 | V | 71.1 | Confident | 72.7 | Confident | 68 Ų | 68 | 89 Ų | 89 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | I | π-helix | trans | -70.1 | -49 | -169.7 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | M556 V557 T564 V565 | M556-V561 PolarHBondContact O-N 3.49Å; V557-V561 HydrophobicContact CG2-CG2 4.49Å; V557-V561 WeakPolarHBondContact O-CB 3.24Å; V557-V561 PolarHBondContact O-N 2.96Å; V561-T564 PolarHBondContact O-N 3.45Å; V561-V565 HydrophobicContact CG1-CG2 4.23Å; V561-V565 WeakPolarHBondContact O-CG2 3.4Å; V561-V565 PolarHBondContact O-N 3.14Å |
| 562 | V | 77.2 | Confident | 73.8 | Confident | 75 Ų | 75 | 90.6 Ų | 90.6 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.5 | -50.5 | -178 | 170.1 | 0 | 0 | 0 | 0 | 112 | V557 T564 V565 C566 | V557-V562 HydrophobicContact CG1-CG2 4.48Å; V557-V562 WeakPolarHBondContact O-CG2 3.03Å; V557-V562 PolarHBondContact O-N 3.24Å; V562-T564 VanDerWaalsContact C-N 3.33Å; V562-T564 PolarHBondContact O-N 3.21Å; V562-V565 PolarHBondContact O-N 3.3Å; V562-C566 WeakPolarHBondContact O-CB 3.4Å; V562-C566 PolarHBondContact O-N 2.89Å; V562-C566 PolarHBondContact O-SG 2.74Å; V562-C566 VanDerWaalsContact O-SG 3.39Å |
| 563 | P | 76.3 | Confident | 74.9 | Confident | 59 Ų | 59 | 90.9 Ų | 90.9 | 38% | 0.383 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 177.1 | -26.4 | 37.4 | 0 | 0 | 0 | 112.5 | T558 E559 V565 C566 T567 | T558-P563 WeakPolarHBondContact O-CD 3.15Å; E559-P563 WeakPolarHBondContact O-CG 3.45Å; P563-V565 PolarHBondContact O-N 3.43Å; P563-C566 PolarHBondContact O-N 2.97Å; P563-T567 WeakPolarHBondContact O-CB 3.37Å; P563-T567 PolarHBondContact O-N 2.83Å; P563-T567 PolarHBondContact O-OG1 3.21Å |
| 564 | T | 79.2 | Confident | 75.6 | Confident | 84 Ų | 84 | 87.9 Ų | 87.9 | 52% | 0.515 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | -179 | -54 | 0 | 0 | 0 | 0 | 111.6 | I560 V561 V562 T567 L568 | I560-T564 VanDerWaalsContact O-CB 3.31Å; I560-T564 WeakPolarHBondContact O-CB 3.29Å; I560-T564 PolarHBondContact O-N 3.01Å; I560-T564 PolarHBondContact O-OG1 3.49Å; V561-T564 PolarHBondContact O-N 3.45Å; V562-T564 VanDerWaalsContact C-N 3.33Å; V562-T564 PolarHBondContact O-N 3.21Å; T564-T567 PolarHBondContact O-N 3.21Å; T564-L568 WeakPolarHBondContact O-CB 3.49Å; T564-L568 PolarHBondContact O-N 2.96Å |
| 565 | V | 79.6 | Confident | 76.4 | Confident | 81 Ų | 81 | 85 Ų | 85 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 177.4 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | V561 V562 P563 T567 L568 S569 | V561-V565 HydrophobicContact CG1-CG2 4.23Å; V561-V565 WeakPolarHBondContact O-CG2 3.4Å; V561-V565 PolarHBondContact O-N 3.14Å; V562-V565 PolarHBondContact O-N 3.3Å; P563-V565 PolarHBondContact O-N 3.43Å; V565-T567 VanDerWaalsContact C-N 3.35Å; V565-T567 PolarHBondContact O-N 3.21Å; V565-L568 PolarHBondContact O-N 2.66Å; V565-S569 WeakPolarHBondContact O-CB 3.21Å; V565-S569 PolarHBondContact O-N 2.79Å; V565-S569 PolarHBondContact O-OG 2.88Å |
| 566 | C | 76.8 | Confident | 77.2 | Confident | 68 Ų | 68 | 84.7 Ų | 84.7 | 46% | 0.459 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 174.3 | -73.9 | 0 | 0 | 0 | 0 | 111.5 | V562 P563 S569 I570 | V562-C566 WeakPolarHBondContact O-CB 3.4Å; V562-C566 PolarHBondContact O-N 2.89Å; V562-C566 PolarHBondContact O-SG 2.74Å; V562-C566 VanDerWaalsContact O-SG 3.39Å; P563-C566 PolarHBondContact O-N 2.97Å; C566-S569 PolarHBondContact O-N 3.39Å; C566-I570 VanDerWaalsContact O-CG1 3.29Å; C566-I570 WeakPolarHBondContact O-CG1 3.24Å; C566-I570 PolarHBondContact O-N 3.21Å |
| 567 | T | 81.6 | Confident | 77.5 | Confident | 79 Ų | 79 | 85.4 Ų | 85.4 | 49% | 0.485 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 179.1 | -39.5 | 0 | 0 | 0 | 0 | 111.3 | P563 T564 V565 S569 I570 L571 | P563-T567 WeakPolarHBondContact O-CB 3.37Å; P563-T567 PolarHBondContact O-N 2.83Å; P563-T567 PolarHBondContact O-OG1 3.21Å; T564-T567 PolarHBondContact O-N 3.21Å; V565-T567 VanDerWaalsContact C-N 3.35Å; V565-T567 PolarHBondContact O-N 3.21Å; T567-S569 VanDerWaalsContact C-N 3.34Å; T567-S569 PolarHBondContact O-N 2.83Å; T567-I570 PolarHBondContact O-N 3.03Å; T567-L571 HydrophobicContact CG2-CD1 4.48Å; T567-L571 WeakPolarHBondContact O-CG 3.26Å; T567-L571 PolarHBondContact O-N 3.4Å |
| 568 | L | 81.8 | Confident | 77.8 | Confident | 103 Ų | 103 | 88.3 Ų | 88.3 | 54% | 0.539 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 176 | -157 | 82.7 | 0 | 0 | 0 | 111.7 | T564 V565 I570 L571 I572 | T564-L568 WeakPolarHBondContact O-CB 3.49Å; T564-L568 PolarHBondContact O-N 2.96Å; V565-L568 PolarHBondContact O-N 2.66Å; L568-I570 VanDerWaalsContact C-N 3.34Å; L568-I570 PolarHBondContact O-N 2.97Å; L568-L571 PolarHBondContact O-N 2.66Å; L568-I572 HydrophobicContact CD2-CD1 4.15Å; L568-I572 HydrophobicContact CG-CD1 4.04Å; L568-I572 WeakPolarHBondContact O-CB 3.21Å; L568-I572 VanDerWaalsContact O-CG1 3.27Å; L568-I572 WeakPolarHBondContact O-CG1 3.31Å; L568-I572 PolarHBondContact O-N 2.89Å |
| 569 | S | 80.6 | Confident | 78 | Confident | 60 Ų | 60 | 90.4 Ų | 90.4 | 42% | 0.42 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 178.3 | -56.6 | 0 | 0 | 0 | 0 | 112 | V565 C566 T567 S573 | V565-S569 WeakPolarHBondContact O-CB 3.21Å; V565-S569 PolarHBondContact O-N 2.79Å; V565-S569 PolarHBondContact O-OG 2.88Å; C566-S569 PolarHBondContact O-N 3.39Å; T567-S569 VanDerWaalsContact C-N 3.34Å; T567-S569 PolarHBondContact O-N 2.83Å; S569-S573 WeakPolarHBondContact O-CB 3.46Å; S569-S573 PolarHBondContact O-N 3.12Å; S569-S573 PolarHBondContact O-OG 2.77Å |
| 570 | I | 84.3 | Confident | 77.9 | Confident | 118 Ų | 118 | 89.2 Ų | 89.2 | 61% | 0.605 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.7 | -46.1 | 174.6 | -68.6 | 164.6 | 0 | 0 | 0 | 110.2 | C566 T567 L568 S573 A574 | C566-I570 VanDerWaalsContact O-CG1 3.29Å; C566-I570 WeakPolarHBondContact O-CG1 3.24Å; C566-I570 PolarHBondContact O-N 3.21Å; T567-I570 PolarHBondContact O-N 3.03Å; L568-I570 VanDerWaalsContact C-N 3.34Å; L568-I570 PolarHBondContact O-N 2.97Å; I570-S573 PolarHBondContact O-N 3.09Å; I570-A574 WeakPolarHBondContact O-CB 3.29Å; I570-A574 PolarHBondContact O-N 2.58Å |
| 571 | L | 81.3 | Confident | 77.6 | Confident | 103 Ų | 103 | 89.7 Ų | 89.7 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 178.4 | -76.9 | 164.3 | 0 | 0 | 0 | 112.2 | T567 L568 S573 A574 V575 | T567-L571 HydrophobicContact CG2-CD1 4.48Å; T567-L571 WeakPolarHBondContact O-CG 3.26Å; T567-L571 PolarHBondContact O-N 3.4Å; L568-L571 PolarHBondContact O-N 2.66Å; L571-S573 VanDerWaalsContact C-N 3.32Å; L571-S573 PolarHBondContact O-N 3.26Å; L571-A574 PolarHBondContact O-N 3.29Å; L571-V575 WeakPolarHBondContact O-CG2 3.44Å; L571-V575 PolarHBondContact O-N 3.23Å |
| 572 | I | 83.4 | Confident | 77.2 | Confident | 87 Ų | 87 | 96.2 Ų | 96.2 | 45% | 0.446 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 176.6 | -69.6 | 163.2 | 0 | 0 | 0 | 110.3 | L568 A574 V575 L576 | L568-I572 HydrophobicContact CD2-CD1 4.15Å; L568-I572 HydrophobicContact CG-CD1 4.04Å; L568-I572 WeakPolarHBondContact O-CB 3.21Å; L568-I572 VanDerWaalsContact O-CG1 3.27Å; L568-I572 WeakPolarHBondContact O-CG1 3.31Å; L568-I572 PolarHBondContact O-N 2.89Å; I572-A574 PolarHBondContact O-N 2.95Å; I572-V575 PolarHBondContact O-N 3.28Å; I572-L576 HydrophobicContact CG2-CD1 3.86Å; I572-L576 HydrophobicContact CG2-CG 4.41Å; I572-L576 WeakPolarHBondContact O-CB 3.11Å; I572-L576 WeakPolarHBondContact O-CG 3.26Å; I572-L576 PolarHBondContact O-N 3.28Å |
| 573 | S | 80.9 | Confident | 76.3 | Confident | 69 Ų | 69 | 103.6 Ų | 103.6 | 48% | 0.483 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 176.4 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | S569 I570 L571 L576 L577 | S569-S573 WeakPolarHBondContact O-CB 3.46Å; S569-S573 PolarHBondContact O-N 3.12Å; S569-S573 PolarHBondContact O-OG 2.77Å; I570-S573 PolarHBondContact O-N 3.09Å; L571-S573 VanDerWaalsContact C-N 3.32Å; L571-S573 PolarHBondContact O-N 3.26Å; S573-L576 PolarHBondContact O-N 2.96Å; S573-L577 WeakPolarHBondContact O-CB 3.36Å; S573-L577 PolarHBondContact O-N 3.28Å |
| 574 | A | 78.2 | Confident | 75.4 | Confident | 52 Ų | 52 | 111.3 Ų | 111.3 | 43% | 0.43 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.2 | -42.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I570 L571 I572 L577 M578 | I570-A574 WeakPolarHBondContact O-CB 3.29Å; I570-A574 PolarHBondContact O-N 2.58Å; L571-A574 PolarHBondContact O-N 3.29Å; I572-A574 PolarHBondContact O-N 2.95Å; A574-L577 WeakPolarHBondContact O-CB 3.49Å; A574-L577 PolarHBondContact O-N 3.31Å; A574-M578 WeakPolarHBondContact O-CG 3.46Å; A574-M578 PolarHBondContact O-N 2.91Å |
| 575 | V | 80.5 | Confident | 73.8 | Confident | 69 Ų | 69 | 117.7 Ų | 117.7 | 42% | 0.418 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.2 | -45.4 | 176 | 170 | 0 | 0 | 0 | 0 | 111.1 | L571 I572 L577 M578 F579 | L571-V575 WeakPolarHBondContact O-CG2 3.44Å; L571-V575 PolarHBondContact O-N 3.23Å; I572-V575 PolarHBondContact O-N 3.28Å; V575-L577 VanDerWaalsContact C-N 3.31Å; V575-L577 PolarHBondContact O-N 3.49Å; V575-M578 WeakPolarHBondContact O-CB 3.37Å; V575-M578 PolarHBondContact O-N 3.24Å; V575-F579 HydrophobicContact CG1-CD2 3.72Å; V575-F579 HydrophobicContact CG1-CE2 3.55Å; V575-F579 VanDerWaalsContact O-CD2 3.24Å; V575-F579 WeakPolarHBondContact O-CD2 3.32Å; V575-F579 PolarHBondContact O-N 2.96Å |
| 576 | L | 79 | Confident | 73.5 | Confident | 102 Ų | 102 | 119.6 Ų | 119.6 | 53% | 0.534 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -60.9 | -40.5 | 174.9 | -75.3 | 168.1 | 0 | 0 | 0 | 111.7 | I572 S573 M578 F579 L580 | I572-L576 HydrophobicContact CG2-CD1 3.86Å; I572-L576 HydrophobicContact CG2-CG 4.41Å; I572-L576 WeakPolarHBondContact O-CB 3.11Å; I572-L576 WeakPolarHBondContact O-CG 3.26Å; I572-L576 PolarHBondContact O-N 3.28Å; S573-L576 PolarHBondContact O-N 2.96Å; L576-M578 VanDerWaalsContact C-N 3.34Å; L576-M578 PolarHBondContact O-N 3.5Å; L576-F579 PolarHBondContact O-N 3.38Å; L576-L580 WeakPolarHBondContact O-CG 3.47Å; L576-L580 PolarHBondContact O-N 3.49Å |
| 577 | L | 75.1 | Confident | 73.4 | Confident | 106 Ų | 106 | 122.3 Ų | 122.3 | 56% | 0.555 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.4 | -42.9 | 174 | -132.9 | 97.7 | 0 | 0 | 0 | 111.4 | S573 A574 V575 L580 L581 | S573-L577 WeakPolarHBondContact O-CB 3.36Å; S573-L577 PolarHBondContact O-N 3.28Å; A574-L577 WeakPolarHBondContact O-CB 3.49Å; A574-L577 PolarHBondContact O-N 3.31Å; V575-L577 VanDerWaalsContact C-N 3.31Å; V575-L577 PolarHBondContact O-N 3.49Å; L577-L580 PolarHBondContact O-N 2.98Å; L577-L581 HydrophobicContact CD2-CD1 4.3Å; L577-L581 WeakPolarHBondContact O-CB 3.11Å; L577-L581 VanDerWaalsContact O-CG 3.27Å; L577-L581 WeakPolarHBondContact O-CG 3.46Å; L577-L581 PolarHBondContact O-N 3.39Å |
| 578 | M | 74.8 | Confident | 72.9 | Confident | 132 Ų | 132 | 124.7 Ų | 124.7 | 65% | 0.65 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.6 | -41.8 | 175.7 | -72.7 | -144 | -64.5 | 0 | 0 | 112.2 | A574 V575 L576 L581 R582 | A574-M578 WeakPolarHBondContact O-CG 3.46Å; A574-M578 PolarHBondContact O-N 2.91Å; V575-M578 WeakPolarHBondContact O-CB 3.37Å; V575-M578 PolarHBondContact O-N 3.24Å; L576-M578 VanDerWaalsContact C-N 3.34Å; L576-M578 PolarHBondContact O-N 3.5Å; M578-L581 PolarHBondContact O-N 2.9Å; M578-R582 WeakPolarHBondContact O-CB 3.45Å; M578-R582 PolarHBondContact O-N 2.75Å |
| 579 | F | 73.1 | Confident | 72.4 | Confident | 135 Ų | 135 | 125.9 Ų | 125.9 | 59% | 0.592 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65 | -37.5 | 175.1 | -82.8 | -70.5 | 0 | 0 | 0 | 112.8 | V575 L576 R582 R583 | V575-F579 HydrophobicContact CG1-CD2 3.72Å; V575-F579 HydrophobicContact CG1-CE2 3.55Å; V575-F579 VanDerWaalsContact O-CD2 3.24Å; V575-F579 WeakPolarHBondContact O-CD2 3.32Å; V575-F579 PolarHBondContact O-N 2.96Å; L576-F579 PolarHBondContact O-N 3.38Å; F579-R582 PolarHBondContact O-N 2.89Å; F579-R583 PolarHBondContact O-N 2.9Å |
| 580 | L | 69.9 | Low | 71.9 | Confident | 122 Ų | 122 | 130.1 Ų | 130.1 | 64% | 0.639 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.6 | -39.8 | 174.7 | -76.1 | 167 | 0 | 0 | 0 | 112.1 | L576 L577 | L576-L580 WeakPolarHBondContact O-CG 3.47Å; L576-L580 PolarHBondContact O-N 3.49Å; L577-L580 PolarHBondContact O-N 2.98Å |
| 581 | L | 65 | Low | 71 | Confident | 112 Ų | 112 | 130.9 Ų | 130.9 | 59% | 0.586 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.8 | -32.3 | 177 | -70.9 | 167.3 | 0 | 0 | 0 | 112.2 | L577 M578 R583 R584 | L577-L581 HydrophobicContact CD2-CD1 4.3Å; L577-L581 WeakPolarHBondContact O-CB 3.11Å; L577-L581 VanDerWaalsContact O-CG 3.27Å; L577-L581 WeakPolarHBondContact O-CG 3.46Å; L577-L581 PolarHBondContact O-N 3.39Å; M578-L581 PolarHBondContact O-N 2.9Å; L581-R583 VanDerWaalsContact C-N 3.31Å; L581-R583 PolarHBondContact O-N 3.09Å; L581-R584 PolarHBondContact O-N 3.03Å |
| 582 | R | 62.9 | Low | 70.3 | Confident | 204 Ų | 204 | 132.9 Ų | 132.9 | 77% | 0.77 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -74.2 | -15.9 | 178.3 | -145.7 | 178.4 | -170.2 | -175.9 | 2.5 | 114.3 | M578 F579 R584 | M578-R582 WeakPolarHBondContact O-CB 3.45Å; M578-R582 PolarHBondContact O-N 2.75Å; F579-R582 PolarHBondContact O-N 2.89Å; R582-R584 VanDerWaalsContact C-N 3.34Å |
| 583 | R | 58.2 | Low | 69.3 | Low | 230 Ų | 230 | 136.4 Ų | 136.4 | 87% | 0.868 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -2.2 | 172.7 | -88.4 | -172.1 | 175.4 | -174 | -0 | 113.9 | F579 L581 | F579-R583 PolarHBondContact O-N 2.9Å; L581-R583 VanDerWaalsContact C-N 3.31Å; L581-R583 PolarHBondContact O-N 3.09Å |
| 584 | R | 57 | Low | 68.3 | Low | 222 Ų | 222 | 142 Ų | 142 | 84% | 0.838 | 67% | 0.67 | S | S | * | * | trans | -109.7 | 9.9 | -177.8 | -100.4 | -174.6 | 173.6 | -179.5 | -1.4 | 114.9 | L581 R582 | L581-R584 PolarHBondContact O-N 3.03Å; R582-R584 VanDerWaalsContact C-N 3.34Å | ||
| 585 | N | 46.3 | Very low | 67.4 | Low | 218 Ų | 218 | 150.2 Ų | 150.2 | 100% | 1.166 | 69% | 0.692 | S | S | * | * | trans | -121.8 | 0 | 171.8 | -76.7 | -13.6 | 0 | 0 | 0 | 111.2 |
Retrieved 585 of 585 residues in 988.4 ms
(Link to these results)